R5 Final QA

This page is part of the FHIR Specification (v5.0.0-draft-final: Final QA Preview for R5 - see ballot notes). The current version which supercedes this version is 5.0.0. For a full list of available versions, see the Directory of published versions . Page versions: R5 R4B

15.9 Resource SubstanceDefinition - Content

Biomedical Research and Regulation icon Work GroupMaturity Level: 1 Trial UseSecurity Category: Anonymous Compartments: Not linked to any defined compartments

The detailed description of a substance, typically at a level beyond what is used for prescribing.

15.9.1 Scope and Usage

For an overview of this resource and others in the Medication Definition domain, also see the module page

SubstanceDefinition is used for rich descriptions of substances, of any type, to support the detailed definition of medications, and in particular their ingredients (see Ingredient) and manufacturing.

This is a definitional resource describing types of substances, to a varying degree of specificity. It can cover the substance in the abstract (properties that this substance always has), or a particular variety of it, such as one manufacturer's version, or a certain presentation (e.g. "granulated"). However it is always a type and does not represent an actual physical instance of a substance. By contrast the Substance resource can act as either a concise definition (a subset of SubstanceDefinition) or as an instance (an actual batch).

SubstanceDefinition is not generally used directly to represent an ingredient, nor as a product that is given to a patient. When acting as an ingredient, the Ingredient resource gives the context necessary (strength, role etc.) and, within it, uses this resource to describe the substance. Any substance that is to be used as medication would be considered a medicinal product (even a plain one such as water) and as such would be described using MedicinalProductDefinition or for a concise summary suitable for day-to-day prescribing, Medication.

This resource is undergoing review for which elements are core and which may be suitable as extensions.

Implementer feedback is welcome on the issue tracker icon or chat.fhir.org icon.

 

15.9.2 References to this Resource

15.9.3 Resource Content

Structure

NameFlagsCard.TypeDescription & Constraintsdoco
.. SubstanceDefinition TUDomainResourceThe detailed description of a substance, typically at a level beyond what is used for prescribing

Elements defined in Ancestors: id, meta, implicitRules, language, text, contained, extension, modifierExtension
... identifier Σ0..*IdentifierIdentifier by which this substance is known

... version Σ0..1stringA business level version identifier of the substance
... status Σ0..1CodeableConceptStatus of substance within the catalogue e.g. active, retired
Binding: PublicationStatus (Preferred)
... domain Σ0..1CodeableConceptIf the substance applies to human or veterinary use
Binding: Medicinal Product Domain (Example)
... grade Σ0..*CodeableConceptThe quality standard, established benchmark, to which substance complies (e.g. USP/NF, BP)
Binding: Substance Grade (Example)

... description Σ0..1markdownTextual description of the substance
... informationSource Σ0..*Reference(Citation)Supporting literature

... note Σ0..*AnnotationTextual comment about the substance's catalogue or registry record

... manufacturer Σ0..*Reference(Organization)The entity that creates, makes, produces or fabricates the substance

... supplier Σ0..*Reference(Organization)An entity that is the source for the substance. It may be different from the manufacturer

... moiety Σ0..*BackboneElementMoiety, for structural modifications

.... role Σ0..1CodeableConceptRole that the moiety is playing
.... identifier Σ0..1IdentifierIdentifier by which this moiety substance is known
.... name Σ0..1stringTextual name for this moiety substance
.... stereochemistry Σ0..1CodeableConceptStereochemistry type
Binding: Stereochemistry (Example)
.... opticalActivity Σ0..1CodeableConceptOptical activity type
Binding: Optical Activity (Example)
.... molecularFormula Σ0..1stringMolecular formula for this moiety (e.g. with the Hill system)
.... amount[x] Σ0..1Quantitative value for this moiety
..... amountQuantityQuantity
..... amountStringstring
.... measurementType Σ0..1CodeableConceptThe measurement type of the quantitative value
Binding: Substance Amount Type (Example)
... characterization Σ0..*BackboneElementGeneral specifications for this substance

.... technique Σ0..1CodeableConceptThe method used to find the characterization e.g. HPLC
Binding: Structure Technique (Example)
.... form Σ0..1CodeableConceptDescribes the nature of the chemical entity and explains, for instance, whether this is a base or a salt form
Binding: Substance Form (Example)
.... description Σ0..1markdownThe description or justification in support of the interpretation of the data file
.... file Σ0..*AttachmentThe data produced by the analytical instrument or a pictorial representation of that data. Examples: a JCAMP, JDX, or ADX file, or a chromatogram or spectrum analysis

... property Σ0..*BackboneElementGeneral specifications for this substance

.... type Σ1..1CodeableConceptA code expressing the type of property
Binding: Product Characteristic (Example)
.... value[x] Σ0..1A value for the property
..... valueCodeableConceptCodeableConcept
..... valueQuantityQuantity
..... valueDatedate
..... valueBooleanboolean
..... valueAttachmentAttachment
... referenceInformation Σ0..1Reference(SubstanceReferenceInformation)General information detailing this substance
... molecularWeight Σ0..*BackboneElementThe average mass of a molecule of a compound

.... method Σ0..1CodeableConceptThe method by which the weight was determined
Binding: Weight Method (Example)
.... type Σ0..1CodeableConceptType of molecular weight e.g. exact, average, weight average
Binding: Weight Type (Example)
.... amount Σ1..1QuantityUsed to capture quantitative values for a variety of elements
... structure Σ0..1BackboneElementStructural information
.... stereochemistry Σ0..1CodeableConceptStereochemistry type
Binding: Stereochemistry (Example)
.... opticalActivity Σ0..1CodeableConceptOptical activity type
Binding: Optical Activity (Example)
.... molecularFormula Σ0..1stringAn expression which states the number and type of atoms present in a molecule of a substance
.... molecularFormulaByMoiety Σ0..1stringSpecified per moiety according to the Hill system
.... molecularWeight Σ0..1see molecularWeightThe molecular weight or weight range
.... technique Σ0..*CodeableConceptThe method used to find the structure e.g. X-ray, NMR
Binding: Structure Technique (Example)

.... sourceDocument Σ0..*Reference(DocumentReference)Source of information for the structure

.... representation Σ0..*BackboneElementA depiction of the structure of the substance

..... type Σ0..1CodeableConceptThe kind of structural representation (e.g. full, partial)
Binding: Substance Representation Type (Example)
..... representation Σ0..1stringThe structural representation as a text string in a standard format
..... format Σ0..1CodeableConceptThe format of the representation e.g. InChI, SMILES, MOLFILE (note: not the physical file format)
Binding: Substance Representation Format (Example)
..... document Σ0..1Reference(DocumentReference)An attachment with the structural representation e.g. a structure graphic or AnIML file
... code Σ0..*BackboneElementCodes associated with the substance

.... code Σ0..1CodeableConceptThe specific code
.... status Σ0..1CodeableConceptStatus of the code assignment, for example 'provisional', 'approved'
Binding: PublicationStatus (Preferred)
.... statusDate Σ0..1dateTimeThe date at which the code status was changed
.... note Σ0..*AnnotationAny comment can be provided in this field

.... source Σ0..*Reference(DocumentReference)Supporting literature

... name Σ0..*BackboneElementNames applicable to this substance

.... name Σ1..1stringThe actual name
.... type Σ0..1CodeableConceptName type e.g. 'systematic', 'scientific, 'brand'
Binding: Substance Name Type (Example)
.... status Σ0..1CodeableConceptThe status of the name e.g. 'current', 'proposed'
Binding: PublicationStatus (Preferred)
.... preferred Σ0..1booleanIf this is the preferred name for this substance
.... language Σ0..*CodeableConceptHuman language that the name is written in
Binding: All Languages (Required)
Additional BindingsPurpose
Common LanguagesStarter Set


.... domain Σ0..*CodeableConceptThe use context of this name e.g. as an active ingredient or as a food colour additive
Binding: Substance Name Domain (Example)

.... jurisdiction Σ0..*CodeableConceptThe jurisdiction where this name applies
Binding: Jurisdiction ValueSet (Example)

.... synonym Σ0..*see nameA synonym of this particular name, by which the substance is also known

.... translation Σ0..*see nameA translation for this name into another human language

.... official Σ0..*BackboneElementDetails of the official nature of this name

..... authority Σ0..1CodeableConceptWhich authority uses this official name
Binding: Substance Name Authority (Preferred)
..... status Σ0..1CodeableConceptThe status of the official name, for example 'draft', 'active'
Binding: PublicationStatus (Preferred)
..... date Σ0..1dateTimeDate of official name change
.... source Σ0..*Reference(DocumentReference)Supporting literature

... relationship Σ0..*BackboneElementA link between this substance and another

.... substanceDefinition[x] Σ0..1A pointer to another substance, as a resource or a representational code
..... substanceDefinitionReferenceReference(SubstanceDefinition)
..... substanceDefinitionCodeableConceptCodeableConcept
.... type Σ1..1CodeableConceptFor example "salt to parent", "active moiety"
Binding: Substance Relationship Type (Example)
.... isDefining Σ0..1booleanFor example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible relationships
.... amount[x] Σ0..1A numeric factor for the relationship, e.g. that a substance salt has some percentage of active substance in relation to some other
..... amountQuantityQuantity
..... amountRatioRatio
..... amountStringstring
.... ratioHighLimitAmount Σ0..1RatioFor use when the numeric has an uncertain range
.... comparator Σ0..1CodeableConceptAn operator for the amount, for example "average", "approximately", "less than"
Binding: Substance Amount Type (Example)
.... source Σ0..*Reference(DocumentReference)Supporting literature

... nucleicAcid Σ0..1Reference(SubstanceNucleicAcid)Data items specific to nucleic acids
... polymer Σ0..1Reference(SubstancePolymer)Data items specific to polymers
... protein Σ0..1Reference(SubstanceProtein)Data items specific to proteins
... sourceMaterial Σ0..1BackboneElementMaterial or taxonomic/anatomical source
.... type Σ0..1CodeableConceptClassification of the origin of the raw material. e.g. cat hair is an Animal source type
Binding: Source Material Type (Example)
.... genus Σ0..1CodeableConceptThe genus of an organism e.g. the Latin epithet of the plant/animal scientific name
Binding: Source Material Genus (Example)
.... species Σ0..1CodeableConceptThe species of an organism e.g. the Latin epithet of the species of the plant/animal
Binding: Source Material Species (Example)
.... part Σ0..1CodeableConceptAn anatomical origin of the source material within an organism
Binding: Source Material Part (Example)
.... countryOfOrigin Σ0..*CodeableConceptThe country or countries where the material is harvested
Binding: Country ValueSet (Required)


doco Documentation for this format icon

See the Extensions for this resource

UML Diagram (Legend)

SubstanceDefinition (DomainResource)Identifier by which this substance is knownidentifier : Identifier [0..*]A business level version identifier of the substanceversion : string [0..1]Status of substance within the catalogue e.g. active, retiredstatus : CodeableConcept [0..1] « null (Strength=Preferred)PublicationStatus? »A high level categorization, e.g. polymer or nucleic acid, or food, chemical, biological, or a lower level such as the general types of polymer (linear or branch chain) or type of impurity (process related or contaminant)classification : CodeableConcept [0..*]If the substance applies to human or veterinary usedomain : CodeableConcept [0..1] « null (Strength=Example)MedicinalProductDomain?? »The quality standard, established benchmark, to which substance complies (e.g. USP/NF, Ph. Eur, JP, BP, Company Standard)grade : CodeableConcept [0..*] « null (Strength=Example)SubstanceGrade?? »Textual description of the substancedescription : markdown [0..1]Supporting literatureinformationSource : Reference [0..*] « Citation »Textual comment about the substance's catalogue or registry recordnote : Annotation [0..*]The entity that creates, makes, produces or fabricates the substance. This is a set of potential manufacturers but is not necessarily comprehensivemanufacturer : Reference [0..*] « Organization »An entity that is the source for the substance. It may be different from the manufacturer. Supplier is synonymous to a distributorsupplier : Reference [0..*] « Organization »General information detailing this substancereferenceInformation : Reference [0..1] « SubstanceReferenceInformation »Data items specific to nucleic acidsnucleicAcid : Reference [0..1] « SubstanceNucleicAcid »Data items specific to polymerspolymer : Reference [0..1] « SubstancePolymer »Data items specific to proteinsprotein : Reference [0..1] « SubstanceProtein »MoietyRole that the moiety is playingrole : CodeableConcept [0..1]Identifier by which this moiety substance is knownidentifier : Identifier [0..1]Textual name for this moiety substancename : string [0..1]Stereochemistry typestereochemistry : CodeableConcept [0..1] « null (Strength=Example)Stereochemistry?? »Optical activity typeopticalActivity : CodeableConcept [0..1] « null (Strength=Example)OpticalActivity?? »Molecular formula for this moiety of this substance, typically using the Hill systemmolecularFormula : string [0..1]Quantitative value for this moietyamount[x] : DataType [0..1] « Quantity|string »The measurement type of the quantitative value. In capturing the actual relative amounts of substances or molecular fragments it may be necessary to indicate whether the amount refers to, for example, a mole ratio or weight ratiomeasurementType : CodeableConcept [0..1] « null (Strength=Example)SubstanceAmountType?? »CharacterizationThe method used to elucidate the characterization of the drug substance. Example: HPLCtechnique : CodeableConcept [0..1] « null (Strength=Example)StructureTechnique?? »Describes the nature of the chemical entity and explains, for instance, whether this is a base or a salt formform : CodeableConcept [0..1] « null (Strength=Example)SubstanceForm?? »The description or justification in support of the interpretation of the data filedescription : markdown [0..1]The data produced by the analytical instrument or a pictorial representation of that data. Examples: a JCAMP, JDX, or ADX file, or a chromatogram or spectrum analysisfile : Attachment [0..*]PropertyA code expressing the type of propertytype : CodeableConcept [1..1] « null (Strength=Example)ProductCharacteristic?? »A value for the propertyvalue[x] : DataType [0..1] « CodeableConcept|Quantity|date|boolean| Attachment »MolecularWeightThe method by which the molecular weight was determinedmethod : CodeableConcept [0..1] « null (Strength=Example)WeightMethod?? »Type of molecular weight such as exact, average (also known as. number average), weight averagetype : CodeableConcept [0..1] « null (Strength=Example)WeightType?? »Used to capture quantitative values for a variety of elements. If only limits are given, the arithmetic mean would be the average. If only a single definite value for a given element is given, it would be captured in this fieldamount : Quantity [1..1]StructureStereochemistry typestereochemistry : CodeableConcept [0..1] « null (Strength=Example)Stereochemistry?? »Optical activity typeopticalActivity : CodeableConcept [0..1] « null (Strength=Example)OpticalActivity?? »An expression which states the number and type of atoms present in a molecule of a substancemolecularFormula : string [0..1]Specified per moiety according to the Hill system, i.e. first C, then H, then alphabetical, each moiety separated by a dotmolecularFormulaByMoiety : string [0..1]The method used to elucidate the structure of the drug substance. Examples: X-ray, NMR, Peptide mapping, Ligand binding assaytechnique : CodeableConcept [0..*] « null (Strength=Example)StructureTechnique?? »The source of information about the structuresourceDocument : Reference [0..*] « DocumentReference »RepresentationThe kind of structural representation (e.g. full, partial)type : CodeableConcept [0..1] « null (Strength=Example)SubstanceRepresentationType?? »The structural representation as a text string in a standard formatrepresentation : string [0..1]The format of the representation e.g. InChI, SMILES, MOLFILE, CDX, SDF, PDB, mmCIF. The logical content type rather than the physical file format of a documentformat : CodeableConcept [0..1] « null (Strength=Example)SubstanceRepresentationFormat?? »An attached file with the structural representation e.g. a molecular structure graphic of the substance, a JCAMP or AnIML filedocument : Reference [0..1] « DocumentReference »codeThe specific codecode : CodeableConcept [0..1]Status of the code assignment, for example 'provisional', 'approved'status : CodeableConcept [0..1] « null (Strength=Preferred)PublicationStatus? »The date at which the code status was changed as part of the terminology maintenancestatusDate : dateTime [0..1]Any comment can be provided in this field, if necessarynote : Annotation [0..*]Supporting literaturesource : Reference [0..*] « DocumentReference »NameThe actual namename : string [1..1]Name type, for example 'systematic', 'scientific, 'brand'type : CodeableConcept [0..1] « null (Strength=Example)SubstanceNameType?? »The status of the name, for example 'current', 'proposed'status : CodeableConcept [0..1] « null (Strength=Preferred)PublicationStatus? »If this is the preferred name for this substancepreferred : boolean [0..1]Human language that the name is written inlanguage : CodeableConcept [0..*] « null (Strength=Required)AllLanguages! »The use context of this name for example if there is a different name a drug active ingredient as opposed to a food colour additivedomain : CodeableConcept [0..*] « null (Strength=Example)SubstanceNameDomain?? »The jurisdiction where this name appliesjurisdiction : CodeableConcept [0..*] « null (Strength=Example)JurisdictionValueSet?? »Supporting literaturesource : Reference [0..*] « DocumentReference »OfficialWhich authority uses this official nameauthority : CodeableConcept [0..1] « null (Strength=Preferred)SubstanceNameAuthority? »The status of the official name, for example 'draft', 'active', 'retired'status : CodeableConcept [0..1] « null (Strength=Preferred)PublicationStatus? »Date of the official name changedate : dateTime [0..1]RelationshipA pointer to another substance, as a resource or just a representational codesubstanceDefinition[x] : DataType [0..1] « Reference( SubstanceDefinition)|CodeableConcept »For example "salt to parent", "active moiety", "starting material", "polymorph", "impurity of"type : CodeableConcept [1..1] « null (Strength=Example)SubstanceRelationshipType?? »For example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible substance relationshipsisDefining : boolean [0..1]A numeric factor for the relationship, for instance to express that the salt of a substance has some percentage of the active substance in relation to some otheramount[x] : DataType [0..1] « Quantity|Ratio|string »For use when the numeric has an uncertain rangeratioHighLimitAmount : Ratio [0..1]An operator for the amount, for example "average", "approximately", "less than"comparator : CodeableConcept [0..1] « null (Strength=Example)SubstanceAmountType?? »Supporting literaturesource : Reference [0..*] « DocumentReference »SourceMaterialA classification that provides the origin of the raw material. Example: cat hair would be an Animal source typetype : CodeableConcept [0..1] « null (Strength=Example)SourceMaterialType?? »The genus of an organism, typically referring to the Latin epithet of the genus element of the plant/animal scientific namegenus : CodeableConcept [0..1] « null (Strength=Example)SourceMaterialGenus?? »The species of an organism, typically referring to the Latin epithet of the species of the plant/animalspecies : CodeableConcept [0..1] « null (Strength=Example)SourceMaterialSpecies?? »An anatomical origin of the source material within an organismpart : CodeableConcept [0..1] « null (Strength=Example)SourceMaterialPart?? »The country or countries where the material is harvestedcountryOfOrigin : CodeableConcept [0..*] « null (Strength=Required)CountryValueSet! »Moiety, for structural modificationsmoiety[0..*]General specifications for this substancecharacterization[0..*]General specifications for this substanceproperty[0..*]The average mass of a molecule of a compound compared to 1/12 the mass of carbon 12 and calculated as the sum of the atomic weights of the constituent atomsmolecularWeight[0..*]The molecular weight or weight range (for proteins, polymers or nucleic acids)molecularWeight[0..1]A depiction of the structure of the substancerepresentation[0..*]Structural informationstructure[0..1]Codes associated with the substancecode[0..*]A synonym of this particular name, by which the substance is also knownsynonym[0..*]A translation for this name into another human languagetranslation[0..*]Details of the official nature of this nameofficial[0..*]Names applicable to this substancename[0..*]A link between this substance and another, with details of the relationshiprelationship[0..*]Material or taxonomic/anatomical source for the substancesourceMaterial[0..1]

XML Template

<SubstanceDefinition xmlns="http://hl7.org/fhir"> doco
 <!-- from Resource: id, meta, implicitRules, and language -->
 <!-- from DomainResource: text, contained, extension, and modifierExtension -->
 <identifier><!-- 0..* Identifier Identifier by which this substance is known --></identifier>
 <version value="[string]"/><!-- 0..1 A business level version identifier of the substance -->
 <status><!-- 0..1 CodeableConcept Status of substance within the catalogue e.g. active, retired --></status>
 <classification><!-- 0..* CodeableConcept A categorization, high level e.g. polymer or nucleic acid, or food, chemical, biological, or lower e.g. polymer linear or branch chain, or type of impurity --></classification>
 <domain><!-- 0..1 CodeableConcept If the substance applies to human or veterinary use --></domain>
 <grade><!-- 0..* CodeableConcept The quality standard, established benchmark, to which substance complies (e.g. USP/NF, BP) --></grade>
 <description value="[markdown]"/><!-- 0..1 Textual description of the substance -->
 <informationSource><!-- 0..* Reference(Citation) Supporting literature --></informationSource>
 <note><!-- 0..* Annotation Textual comment about the substance's catalogue or registry record --></note>
 <manufacturer><!-- 0..* Reference(Organization) The entity that creates, makes, produces or fabricates the substance --></manufacturer>
 <supplier><!-- 0..* Reference(Organization) An entity that is the source for the substance. It may be different from the manufacturer --></supplier>
 <moiety>  <!-- 0..* Moiety, for structural modifications -->
  <role><!-- 0..1 CodeableConcept Role that the moiety is playing --></role>
  <identifier><!-- 0..1 Identifier Identifier by which this moiety substance is known --></identifier>
  <name value="[string]"/><!-- 0..1 Textual name for this moiety substance -->
  <stereochemistry><!-- 0..1 CodeableConcept Stereochemistry type --></stereochemistry>
  <opticalActivity><!-- 0..1 CodeableConcept Optical activity type --></opticalActivity>
  <molecularFormula value="[string]"/><!-- 0..1 Molecular formula for this moiety (e.g. with the Hill system) -->
  <amount[x]><!-- 0..1 Quantity|string Quantitative value for this moiety --></amount[x]>
  <measurementType><!-- 0..1 CodeableConcept The measurement type of the quantitative value --></measurementType>
 </moiety>
 <characterization>  <!-- 0..* General specifications for this substance -->
  <technique><!-- 0..1 CodeableConcept The method used to find the characterization e.g. HPLC --></technique>
  <form><!-- 0..1 CodeableConcept Describes the nature of the chemical entity and explains, for instance, whether this is a base or a salt form --></form>
  <description value="[markdown]"/><!-- 0..1 The description or justification in support of the interpretation of the data file -->
  <file><!-- 0..* Attachment The data produced by the analytical instrument or a pictorial representation of that data. Examples: a JCAMP, JDX, or ADX file, or a chromatogram or spectrum analysis --></file>
 </characterization>
 <property>  <!-- 0..* General specifications for this substance -->
  <type><!-- 1..1 CodeableConcept A code expressing the type of property --></type>
  <value[x]><!-- 0..1 CodeableConcept|Quantity|date|boolean|Attachment A value for the property --></value[x]>
 </property>
 <referenceInformation><!-- 0..1 Reference(SubstanceReferenceInformation) General information detailing this substance --></referenceInformation>
 <molecularWeight>  <!-- 0..* The average mass of a molecule of a compound -->
  <method><!-- 0..1 CodeableConcept The method by which the weight was determined --></method>
  <type><!-- 0..1 CodeableConcept Type of molecular weight e.g. exact, average, weight average --></type>
  <amount><!-- 1..1 Quantity Used to capture quantitative values for a variety of elements --></amount>
 </molecularWeight>
 <structure>  <!-- 0..1 Structural information -->
  <stereochemistry><!-- 0..1 CodeableConcept Stereochemistry type --></stereochemistry>
  <opticalActivity><!-- 0..1 CodeableConcept Optical activity type --></opticalActivity>
  <molecularFormula value="[string]"/><!-- 0..1 An expression which states the number and type of atoms present in a molecule of a substance -->
  <molecularFormulaByMoiety value="[string]"/><!-- 0..1 Specified per moiety according to the Hill system -->
  <molecularWeight><!-- 0..1 Content as for SubstanceDefinition.molecularWeight The molecular weight or weight range --></molecularWeight>
  <technique><!-- 0..* CodeableConcept The method used to find the structure e.g. X-ray, NMR --></technique>
  <sourceDocument><!-- 0..* Reference(DocumentReference) Source of information for the structure --></sourceDocument>
  <representation>  <!-- 0..* A depiction of the structure of the substance -->
   <type><!-- 0..1 CodeableConcept The kind of structural representation (e.g. full, partial) --></type>
   <representation value="[string]"/><!-- 0..1 The structural representation as a text string in a standard format -->
   <format><!-- 0..1 CodeableConcept The format of the representation e.g. InChI, SMILES, MOLFILE (note: not the physical file format) --></format>
   <document><!-- 0..1 Reference(DocumentReference) An attachment with the structural representation e.g. a structure graphic or AnIML file --></document>
  </representation>
 </structure>
 <code>  <!-- 0..* Codes associated with the substance -->
  <code><!-- 0..1 CodeableConcept The specific code --></code>
  <status><!-- 0..1 CodeableConcept Status of the code assignment, for example 'provisional', 'approved' --></status>
  <statusDate value="[dateTime]"/><!-- 0..1 The date at which the code status was changed -->
  <note><!-- 0..* Annotation Any comment can be provided in this field --></note>
  <source><!-- 0..* Reference(DocumentReference) Supporting literature --></source>
 </code>
 <name>  <!-- 0..* Names applicable to this substance -->
  <name value="[string]"/><!-- 1..1 The actual name -->
  <type><!-- 0..1 CodeableConcept Name type e.g. 'systematic',  'scientific, 'brand' --></type>
  <status><!-- 0..1 CodeableConcept The status of the name e.g. 'current', 'proposed' --></status>
  <preferred value="[boolean]"/><!-- 0..1 If this is the preferred name for this substance -->
  <language><!-- 0..* CodeableConcept Human language that the name is written in --></language>
  <domain><!-- 0..* CodeableConcept The use context of this name e.g. as an active ingredient or as a food colour additive --></domain>
  <jurisdiction><!-- 0..* CodeableConcept The jurisdiction where this name applies --></jurisdiction>
  <synonym><!-- 0..* Content as for SubstanceDefinition.name A synonym of this particular name, by which the substance is also known --></synonym>
  <translation><!-- 0..* Content as for SubstanceDefinition.name A translation for this name into another human language --></translation>
  <official>  <!-- 0..* Details of the official nature of this name -->
   <authority><!-- 0..1 CodeableConcept Which authority uses this official name --></authority>
   <status><!-- 0..1 CodeableConcept The status of the official name, for example 'draft', 'active' --></status>
   <date value="[dateTime]"/><!-- 0..1 Date of official name change -->
  </official>
  <source><!-- 0..* Reference(DocumentReference) Supporting literature --></source>
 </name>
 <relationship>  <!-- 0..* A link between this substance and another -->
  <substanceDefinition[x]><!-- 0..1 Reference(SubstanceDefinition)|
    CodeableConcept A pointer to another substance, as a resource or a representational code --></substanceDefinition[x]>
  <type><!-- 1..1 CodeableConcept For example "salt to parent", "active moiety" --></type>
  <isDefining value="[boolean]"/><!-- 0..1 For example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible relationships -->
  <amount[x]><!-- 0..1 Quantity|Ratio|string A numeric factor for the relationship, e.g. that a substance salt has some percentage of active substance in relation to some other --></amount[x]>
  <ratioHighLimitAmount><!-- 0..1 Ratio For use when the numeric has an uncertain range --></ratioHighLimitAmount>
  <comparator><!-- 0..1 CodeableConcept An operator for the amount, for example "average", "approximately", "less than" --></comparator>
  <source><!-- 0..* Reference(DocumentReference) Supporting literature --></source>
 </relationship>
 <nucleicAcid><!-- 0..1 Reference(SubstanceNucleicAcid) Data items specific to nucleic acids --></nucleicAcid>
 <polymer><!-- 0..1 Reference(SubstancePolymer) Data items specific to polymers --></polymer>
 <protein><!-- 0..1 Reference(SubstanceProtein) Data items specific to proteins --></protein>
 <sourceMaterial>  <!-- 0..1 Material or taxonomic/anatomical source -->
  <type><!-- 0..1 CodeableConcept Classification of the origin of the raw material. e.g. cat hair is an Animal source type --></type>
  <genus><!-- 0..1 CodeableConcept The genus of an organism e.g. the Latin epithet of the plant/animal scientific name --></genus>
  <species><!-- 0..1 CodeableConcept The species of an organism e.g. the Latin epithet of the species of the plant/animal --></species>
  <part><!-- 0..1 CodeableConcept An anatomical origin of the source material within an organism --></part>
  <countryOfOrigin><!-- 0..* CodeableConcept The country or countries where the material is harvested --></countryOfOrigin>
 </sourceMaterial>
</SubstanceDefinition>

JSON Template

{doco
  "resourceType" : "SubstanceDefinition",
  // from Resource: id, meta, implicitRules, and language
  // from DomainResource: text, contained, extension, and modifierExtension
  "identifier" : [{ Identifier }], // Identifier by which this substance is known
  "version" : "<string>", // A business level version identifier of the substance
  "status" : { CodeableConcept }, // Status of substance within the catalogue e.g. active, retired
  "classification" : [{ CodeableConcept }], // A categorization, high level e.g. polymer or nucleic acid, or food, chemical, biological, or lower e.g. polymer linear or branch chain, or type of impurity
  "domain" : { CodeableConcept }, // If the substance applies to human or veterinary use
  "grade" : [{ CodeableConcept }], // The quality standard, established benchmark, to which substance complies (e.g. USP/NF, BP)
  "description" : "<markdown>", // Textual description of the substance
  "informationSource" : [{ Reference(Citation) }], // Supporting literature
  "note" : [{ Annotation }], // Textual comment about the substance's catalogue or registry record
  "manufacturer" : [{ Reference(Organization) }], // The entity that creates, makes, produces or fabricates the substance
  "supplier" : [{ Reference(Organization) }], // An entity that is the source for the substance. It may be different from the manufacturer
  "moiety" : [{ // Moiety, for structural modifications
    "role" : { CodeableConcept }, // Role that the moiety is playing
    "identifier" : { Identifier }, // Identifier by which this moiety substance is known
    "name" : "<string>", // Textual name for this moiety substance
    "stereochemistry" : { CodeableConcept }, // Stereochemistry type
    "opticalActivity" : { CodeableConcept }, // Optical activity type
    "molecularFormula" : "<string>", // Molecular formula for this moiety (e.g. with the Hill system)
    // amount[x]: Quantitative value for this moiety. One of these 2:
    "amountQuantity" : { Quantity },
    "amountString" : "<string>",
    "measurementType" : { CodeableConcept } // The measurement type of the quantitative value
  }],
  "characterization" : [{ // General specifications for this substance
    "technique" : { CodeableConcept }, // The method used to find the characterization e.g. HPLC
    "form" : { CodeableConcept }, // Describes the nature of the chemical entity and explains, for instance, whether this is a base or a salt form
    "description" : "<markdown>", // The description or justification in support of the interpretation of the data file
    "file" : [{ Attachment }] // The data produced by the analytical instrument or a pictorial representation of that data. Examples: a JCAMP, JDX, or ADX file, or a chromatogram or spectrum analysis
  }],
  "property" : [{ // General specifications for this substance
    "type" : { CodeableConcept }, // R!  A code expressing the type of property
    // value[x]: A value for the property. One of these 5:
    "valueCodeableConcept" : { CodeableConcept },
    "valueQuantity" : { Quantity },
    "valueDate" : "<date>",
    "valueBoolean" : <boolean>,
    "valueAttachment" : { Attachment }
  }],
  "referenceInformation" : { Reference(SubstanceReferenceInformation) }, // General information detailing this substance
  "molecularWeight" : [{ // The average mass of a molecule of a compound
    "method" : { CodeableConcept }, // The method by which the weight was determined
    "type" : { CodeableConcept }, // Type of molecular weight e.g. exact, average, weight average
    "amount" : { Quantity } // R!  Used to capture quantitative values for a variety of elements
  }],
  "structure" : { // Structural information
    "stereochemistry" : { CodeableConcept }, // Stereochemistry type
    "opticalActivity" : { CodeableConcept }, // Optical activity type
    "molecularFormula" : "<string>", // An expression which states the number and type of atoms present in a molecule of a substance
    "molecularFormulaByMoiety" : "<string>", // Specified per moiety according to the Hill system
    "molecularWeight" : { Content as for SubstanceDefinition.molecularWeight }, // The molecular weight or weight range
    "technique" : [{ CodeableConcept }], // The method used to find the structure e.g. X-ray, NMR
    "sourceDocument" : [{ Reference(DocumentReference) }], // Source of information for the structure
    "representation" : [{ // A depiction of the structure of the substance
      "type" : { CodeableConcept }, // The kind of structural representation (e.g. full, partial)
      "representation" : "<string>", // The structural representation as a text string in a standard format
      "format" : { CodeableConcept }, // The format of the representation e.g. InChI, SMILES, MOLFILE (note: not the physical file format)
      "document" : { Reference(DocumentReference) } // An attachment with the structural representation e.g. a structure graphic or AnIML file
    }]
  },
  "code" : [{ // Codes associated with the substance
    "code" : { CodeableConcept }, // The specific code
    "status" : { CodeableConcept }, // Status of the code assignment, for example 'provisional', 'approved'
    "statusDate" : "<dateTime>", // The date at which the code status was changed
    "note" : [{ Annotation }], // Any comment can be provided in this field
    "source" : [{ Reference(DocumentReference) }] // Supporting literature
  }],
  "name" : [{ // Names applicable to this substance
    "name" : "<string>", // R!  The actual name
    "type" : { CodeableConcept }, // Name type e.g. 'systematic',  'scientific, 'brand'
    "status" : { CodeableConcept }, // The status of the name e.g. 'current', 'proposed'
    "preferred" : <boolean>, // If this is the preferred name for this substance
    "language" : [{ CodeableConcept }], // Human language that the name is written in
    "domain" : [{ CodeableConcept }], // The use context of this name e.g. as an active ingredient or as a food colour additive
    "jurisdiction" : [{ CodeableConcept }], // The jurisdiction where this name applies
    "synonym" : [{ Content as for SubstanceDefinition.name }], // A synonym of this particular name, by which the substance is also known
    "translation" : [{ Content as for SubstanceDefinition.name }], // A translation for this name into another human language
    "official" : [{ // Details of the official nature of this name
      "authority" : { CodeableConcept }, // Which authority uses this official name
      "status" : { CodeableConcept }, // The status of the official name, for example 'draft', 'active'
      "date" : "<dateTime>" // Date of official name change
    }],
    "source" : [{ Reference(DocumentReference) }] // Supporting literature
  }],
  "relationship" : [{ // A link between this substance and another
    // substanceDefinition[x]: A pointer to another substance, as a resource or a representational code. One of these 2:
    "substanceDefinitionReference" : { Reference(SubstanceDefinition) },
    "substanceDefinitionCodeableConcept" : { CodeableConcept },
    "type" : { CodeableConcept }, // R!  For example "salt to parent", "active moiety"
    "isDefining" : <boolean>, // For example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible relationships
    // amount[x]: 
      A numeric factor for the relationship, e.g. that a substance salt has some percentage of active substance in relation to some other. One of these 3:
    "amountQuantity" : { Quantity },
    "amountRatio" : { Ratio },
    "amountString" : "<string>",
    "ratioHighLimitAmount" : { Ratio }, // For use when the numeric has an uncertain range
    "comparator" : { CodeableConcept }, // An operator for the amount, for example "average", "approximately", "less than"
    "source" : [{ Reference(DocumentReference) }] // Supporting literature
  }],
  "nucleicAcid" : { Reference(SubstanceNucleicAcid) }, // Data items specific to nucleic acids
  "polymer" : { Reference(SubstancePolymer) }, // Data items specific to polymers
  "protein" : { Reference(SubstanceProtein) }, // Data items specific to proteins
  "sourceMaterial" : { // Material or taxonomic/anatomical source
    "type" : { CodeableConcept }, // Classification of the origin of the raw material. e.g. cat hair is an Animal source type
    "genus" : { CodeableConcept }, // The genus of an organism e.g. the Latin epithet of the plant/animal scientific name
    "species" : { CodeableConcept }, // The species of an organism e.g. the Latin epithet of the species of the plant/animal
    "part" : { CodeableConcept }, // An anatomical origin of the source material within an organism
    "countryOfOrigin" : [{ CodeableConcept }] // The country or countries where the material is harvested
  }
}

Turtle Template

@prefix fhir: <http://hl7.org/fhir/> .doco


[ a fhir:SubstanceDefinition;
  fhir:nodeRole fhir:treeRoot; # if this is the parser root

  # from Resource: .id, .meta, .implicitRules, and .language
  # from DomainResource: .text, .contained, .extension, and .modifierExtension
  fhir:identifier  ( [ Identifier ] ... ) ; # 0..* Identifier by which this substance is known
  fhir:version [ string ] ; # 0..1 A business level version identifier of the substance
  fhir:status [ CodeableConcept ] ; # 0..1 Status of substance within the catalogue e.g. active, retired
  fhir:classification  ( [ CodeableConcept ] ... ) ; # 0..* A categorization, high level e.g. polymer or nucleic acid, or food, chemical, biological, or lower e.g. polymer linear or branch chain, or type of impurity
  fhir:domain [ CodeableConcept ] ; # 0..1 If the substance applies to human or veterinary use
  fhir:grade  ( [ CodeableConcept ] ... ) ; # 0..* The quality standard, established benchmark, to which substance complies (e.g. USP/NF, BP)
  fhir:description [ markdown ] ; # 0..1 Textual description of the substance
  fhir:informationSource  ( [ Reference(Citation) ] ... ) ; # 0..* Supporting literature
  fhir:note  ( [ Annotation ] ... ) ; # 0..* Textual comment about the substance's catalogue or registry record
  fhir:manufacturer  ( [ Reference(Organization) ] ... ) ; # 0..* The entity that creates, makes, produces or fabricates the substance
  fhir:supplier  ( [ Reference(Organization) ] ... ) ; # 0..* An entity that is the source for the substance. It may be different from the manufacturer
  fhir:moiety ( [ # 0..* Moiety, for structural modifications
    fhir:role [ CodeableConcept ] ; # 0..1 Role that the moiety is playing
    fhir:identifier [ Identifier ] ; # 0..1 Identifier by which this moiety substance is known
    fhir:name [ string ] ; # 0..1 Textual name for this moiety substance
    fhir:stereochemistry [ CodeableConcept ] ; # 0..1 Stereochemistry type
    fhir:opticalActivity [ CodeableConcept ] ; # 0..1 Optical activity type
    fhir:molecularFormula [ string ] ; # 0..1 Molecular formula for this moiety (e.g. with the Hill system)
    # amount[x] : 0..1 Quantitative value for this moiety. One of these 2
      fhir:amount [  a fhir:Quantity ; Quantity ]
      fhir:amount [  a fhir:string ; string ]
    fhir:measurementType [ CodeableConcept ] ; # 0..1 The measurement type of the quantitative value
  ] ... ) ;
  fhir:characterization ( [ # 0..* General specifications for this substance
    fhir:technique [ CodeableConcept ] ; # 0..1 The method used to find the characterization e.g. HPLC
    fhir:form [ CodeableConcept ] ; # 0..1 Describes the nature of the chemical entity and explains, for instance, whether this is a base or a salt form
    fhir:description [ markdown ] ; # 0..1 The description or justification in support of the interpretation of the data file
    fhir:file  ( [ Attachment ] ... ) ; # 0..* The data produced by the analytical instrument or a pictorial representation of that data. Examples: a JCAMP, JDX, or ADX file, or a chromatogram or spectrum analysis
  ] ... ) ;
  fhir:property ( [ # 0..* General specifications for this substance
    fhir:type [ CodeableConcept ] ; # 1..1 A code expressing the type of property
    # value[x] : 0..1 A value for the property. One of these 5
      fhir:value [  a fhir:CodeableConcept ; CodeableConcept ]
      fhir:value [  a fhir:Quantity ; Quantity ]
      fhir:value [  a fhir:date ; date ]
      fhir:value [  a fhir:boolean ; boolean ]
      fhir:value [  a fhir:Attachment ; Attachment ]
  ] ... ) ;
  fhir:referenceInformation [ Reference(SubstanceReferenceInformation) ] ; # 0..1 General information detailing this substance
  fhir:molecularWeight ( [ # 0..* The average mass of a molecule of a compound
    fhir:method [ CodeableConcept ] ; # 0..1 The method by which the weight was determined
    fhir:type [ CodeableConcept ] ; # 0..1 Type of molecular weight e.g. exact, average, weight average
    fhir:amount [ Quantity ] ; # 1..1 Used to capture quantitative values for a variety of elements
  ] ... ) ;
  fhir:structure [ # 0..1 Structural information
    fhir:stereochemistry [ CodeableConcept ] ; # 0..1 Stereochemistry type
    fhir:opticalActivity [ CodeableConcept ] ; # 0..1 Optical activity type
    fhir:molecularFormula [ string ] ; # 0..1 An expression which states the number and type of atoms present in a molecule of a substance
    fhir:molecularFormulaByMoiety [ string ] ; # 0..1 Specified per moiety according to the Hill system
    fhir:molecularWeight [ See SubstanceDefinition.molecularWeight ] ; # 0..1 The molecular weight or weight range
    fhir:technique  ( [ CodeableConcept ] ... ) ; # 0..* The method used to find the structure e.g. X-ray, NMR
    fhir:sourceDocument  ( [ Reference(DocumentReference) ] ... ) ; # 0..* Source of information for the structure
    fhir:representation ( [ # 0..* A depiction of the structure of the substance
      fhir:type [ CodeableConcept ] ; # 0..1 The kind of structural representation (e.g. full, partial)
      fhir:representation [ string ] ; # 0..1 The structural representation as a text string in a standard format
      fhir:format [ CodeableConcept ] ; # 0..1 The format of the representation e.g. InChI, SMILES, MOLFILE (note: not the physical file format)
      fhir:document [ Reference(DocumentReference) ] ; # 0..1 An attachment with the structural representation e.g. a structure graphic or AnIML file
    ] ... ) ;
  ] ;
  fhir:code ( [ # 0..* Codes associated with the substance
    fhir:code [ CodeableConcept ] ; # 0..1 The specific code
    fhir:status [ CodeableConcept ] ; # 0..1 Status of the code assignment, for example 'provisional', 'approved'
    fhir:statusDate [ dateTime ] ; # 0..1 The date at which the code status was changed
    fhir:note  ( [ Annotation ] ... ) ; # 0..* Any comment can be provided in this field
    fhir:source  ( [ Reference(DocumentReference) ] ... ) ; # 0..* Supporting literature
  ] ... ) ;
  fhir:name ( [ # 0..* Names applicable to this substance
    fhir:name [ string ] ; # 1..1 The actual name
    fhir:type [ CodeableConcept ] ; # 0..1 Name type e.g. 'systematic',  'scientific, 'brand'
    fhir:status [ CodeableConcept ] ; # 0..1 The status of the name e.g. 'current', 'proposed'
    fhir:preferred [ boolean ] ; # 0..1 If this is the preferred name for this substance
    fhir:language  ( [ CodeableConcept ] ... ) ; # 0..* Human language that the name is written in
    fhir:domain  ( [ CodeableConcept ] ... ) ; # 0..* The use context of this name e.g. as an active ingredient or as a food colour additive
    fhir:jurisdiction  ( [ CodeableConcept ] ... ) ; # 0..* The jurisdiction where this name applies
    fhir:synonym  ( [ See SubstanceDefinition.name ] ... ) ; # 0..* A synonym of this particular name, by which the substance is also known
    fhir:translation  ( [ See SubstanceDefinition.name ] ... ) ; # 0..* A translation for this name into another human language
    fhir:official ( [ # 0..* Details of the official nature of this name
      fhir:authority [ CodeableConcept ] ; # 0..1 Which authority uses this official name
      fhir:status [ CodeableConcept ] ; # 0..1 The status of the official name, for example 'draft', 'active'
      fhir:date [ dateTime ] ; # 0..1 Date of official name change
    ] ... ) ;
    fhir:source  ( [ Reference(DocumentReference) ] ... ) ; # 0..* Supporting literature
  ] ... ) ;
  fhir:relationship ( [ # 0..* A link between this substance and another
    # substanceDefinition[x] : 0..1 A pointer to another substance, as a resource or a representational code. One of these 2
      fhir:substanceDefinition [  a fhir:Reference ; Reference(SubstanceDefinition) ]
      fhir:substanceDefinition [  a fhir:CodeableConcept ; CodeableConcept ]
    fhir:type [ CodeableConcept ] ; # 1..1 For example "salt to parent", "active moiety"
    fhir:isDefining [ boolean ] ; # 0..1 For example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible relationships
    # amount[x] : 0..1 A numeric factor for the relationship, e.g. that a substance salt has some percentage of active substance in relation to some other. One of these 3
      fhir:amount [  a fhir:Quantity ; Quantity ]
      fhir:amount [  a fhir:Ratio ; Ratio ]
      fhir:amount [  a fhir:string ; string ]
    fhir:ratioHighLimitAmount [ Ratio ] ; # 0..1 For use when the numeric has an uncertain range
    fhir:comparator [ CodeableConcept ] ; # 0..1 An operator for the amount, for example "average", "approximately", "less than"
    fhir:source  ( [ Reference(DocumentReference) ] ... ) ; # 0..* Supporting literature
  ] ... ) ;
  fhir:nucleicAcid [ Reference(SubstanceNucleicAcid) ] ; # 0..1 Data items specific to nucleic acids
  fhir:polymer [ Reference(SubstancePolymer) ] ; # 0..1 Data items specific to polymers
  fhir:protein [ Reference(SubstanceProtein) ] ; # 0..1 Data items specific to proteins
  fhir:sourceMaterial [ # 0..1 Material or taxonomic/anatomical source
    fhir:type [ CodeableConcept ] ; # 0..1 Classification of the origin of the raw material. e.g. cat hair is an Animal source type
    fhir:genus [ CodeableConcept ] ; # 0..1 The genus of an organism e.g. the Latin epithet of the plant/animal scientific name
    fhir:species [ CodeableConcept ] ; # 0..1 The species of an organism e.g. the Latin epithet of the species of the plant/animal
    fhir:part [ CodeableConcept ] ; # 0..1 An anatomical origin of the source material within an organism
    fhir:countryOfOrigin  ( [ CodeableConcept ] ... ) ; # 0..* The country or countries where the material is harvested
  ] ;
]

Changes since R4

This resource did not exist in Release 3

This analysis is available as XML or JSON.

Structure

NameFlagsCard.TypeDescription & Constraintsdoco
.. SubstanceDefinition TUDomainResourceThe detailed description of a substance, typically at a level beyond what is used for prescribing

Elements defined in Ancestors: id, meta, implicitRules, language, text, contained, extension, modifierExtension
... identifier Σ0..*IdentifierIdentifier by which this substance is known

... version Σ0..1stringA business level version identifier of the substance
... status Σ0..1CodeableConceptStatus of substance within the catalogue e.g. active, retired
Binding: PublicationStatus (Preferred)
... domain Σ0..1CodeableConceptIf the substance applies to human or veterinary use
Binding: Medicinal Product Domain (Example)
... grade Σ0..*CodeableConceptThe quality standard, established benchmark, to which substance complies (e.g. USP/NF, BP)
Binding: Substance Grade (Example)

... description Σ0..1markdownTextual description of the substance
... informationSource Σ0..*Reference(Citation)Supporting literature

... note Σ0..*AnnotationTextual comment about the substance's catalogue or registry record

... manufacturer Σ0..*Reference(Organization)The entity that creates, makes, produces or fabricates the substance

... supplier Σ0..*Reference(Organization)An entity that is the source for the substance. It may be different from the manufacturer

... moiety Σ0..*BackboneElementMoiety, for structural modifications

.... role Σ0..1CodeableConceptRole that the moiety is playing
.... identifier Σ0..1IdentifierIdentifier by which this moiety substance is known
.... name Σ0..1stringTextual name for this moiety substance
.... stereochemistry Σ0..1CodeableConceptStereochemistry type
Binding: Stereochemistry (Example)
.... opticalActivity Σ0..1CodeableConceptOptical activity type
Binding: Optical Activity (Example)
.... molecularFormula Σ0..1stringMolecular formula for this moiety (e.g. with the Hill system)
.... amount[x] Σ0..1Quantitative value for this moiety
..... amountQuantityQuantity
..... amountStringstring
.... measurementType Σ0..1CodeableConceptThe measurement type of the quantitative value
Binding: Substance Amount Type (Example)
... characterization Σ0..*BackboneElementGeneral specifications for this substance

.... technique Σ0..1CodeableConceptThe method used to find the characterization e.g. HPLC
Binding: Structure Technique (Example)
.... form Σ0..1CodeableConceptDescribes the nature of the chemical entity and explains, for instance, whether this is a base or a salt form
Binding: Substance Form (Example)
.... description Σ0..1markdownThe description or justification in support of the interpretation of the data file
.... file Σ0..*AttachmentThe data produced by the analytical instrument or a pictorial representation of that data. Examples: a JCAMP, JDX, or ADX file, or a chromatogram or spectrum analysis

... property Σ0..*BackboneElementGeneral specifications for this substance

.... type Σ1..1CodeableConceptA code expressing the type of property
Binding: Product Characteristic (Example)
.... value[x] Σ0..1A value for the property
..... valueCodeableConceptCodeableConcept
..... valueQuantityQuantity
..... valueDatedate
..... valueBooleanboolean
..... valueAttachmentAttachment
... referenceInformation Σ0..1Reference(SubstanceReferenceInformation)General information detailing this substance
... molecularWeight Σ0..*BackboneElementThe average mass of a molecule of a compound

.... method Σ0..1CodeableConceptThe method by which the weight was determined
Binding: Weight Method (Example)
.... type Σ0..1CodeableConceptType of molecular weight e.g. exact, average, weight average
Binding: Weight Type (Example)
.... amount Σ1..1QuantityUsed to capture quantitative values for a variety of elements
... structure Σ0..1BackboneElementStructural information
.... stereochemistry Σ0..1CodeableConceptStereochemistry type
Binding: Stereochemistry (Example)
.... opticalActivity Σ0..1CodeableConceptOptical activity type
Binding: Optical Activity (Example)
.... molecularFormula Σ0..1stringAn expression which states the number and type of atoms present in a molecule of a substance
.... molecularFormulaByMoiety Σ0..1stringSpecified per moiety according to the Hill system
.... molecularWeight Σ0..1see molecularWeightThe molecular weight or weight range
.... technique Σ0..*CodeableConceptThe method used to find the structure e.g. X-ray, NMR
Binding: Structure Technique (Example)

.... sourceDocument Σ0..*Reference(DocumentReference)Source of information for the structure

.... representation Σ0..*BackboneElementA depiction of the structure of the substance

..... type Σ0..1CodeableConceptThe kind of structural representation (e.g. full, partial)
Binding: Substance Representation Type (Example)
..... representation Σ0..1stringThe structural representation as a text string in a standard format
..... format Σ0..1CodeableConceptThe format of the representation e.g. InChI, SMILES, MOLFILE (note: not the physical file format)
Binding: Substance Representation Format (Example)
..... document Σ0..1Reference(DocumentReference)An attachment with the structural representation e.g. a structure graphic or AnIML file
... code Σ0..*BackboneElementCodes associated with the substance

.... code Σ0..1CodeableConceptThe specific code
.... status Σ0..1CodeableConceptStatus of the code assignment, for example 'provisional', 'approved'
Binding: PublicationStatus (Preferred)
.... statusDate Σ0..1dateTimeThe date at which the code status was changed
.... note Σ0..*AnnotationAny comment can be provided in this field

.... source Σ0..*Reference(DocumentReference)Supporting literature

... name Σ0..*BackboneElementNames applicable to this substance

.... name Σ1..1stringThe actual name
.... type Σ0..1CodeableConceptName type e.g. 'systematic', 'scientific, 'brand'
Binding: Substance Name Type (Example)
.... status Σ0..1CodeableConceptThe status of the name e.g. 'current', 'proposed'
Binding: PublicationStatus (Preferred)
.... preferred Σ0..1booleanIf this is the preferred name for this substance
.... language Σ0..*CodeableConceptHuman language that the name is written in
Binding: All Languages (Required)
Additional BindingsPurpose
Common LanguagesStarter Set


.... domain Σ0..*CodeableConceptThe use context of this name e.g. as an active ingredient or as a food colour additive
Binding: Substance Name Domain (Example)

.... jurisdiction Σ0..*CodeableConceptThe jurisdiction where this name applies
Binding: Jurisdiction ValueSet (Example)

.... synonym Σ0..*see nameA synonym of this particular name, by which the substance is also known

.... translation Σ0..*see nameA translation for this name into another human language

.... official Σ0..*BackboneElementDetails of the official nature of this name

..... authority Σ0..1CodeableConceptWhich authority uses this official name
Binding: Substance Name Authority (Preferred)
..... status Σ0..1CodeableConceptThe status of the official name, for example 'draft', 'active'
Binding: PublicationStatus (Preferred)
..... date Σ0..1dateTimeDate of official name change
.... source Σ0..*Reference(DocumentReference)Supporting literature

... relationship Σ0..*BackboneElementA link between this substance and another

.... substanceDefinition[x] Σ0..1A pointer to another substance, as a resource or a representational code
..... substanceDefinitionReferenceReference(SubstanceDefinition)
..... substanceDefinitionCodeableConceptCodeableConcept
.... type Σ1..1CodeableConceptFor example "salt to parent", "active moiety"
Binding: Substance Relationship Type (Example)
.... isDefining Σ0..1booleanFor example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible relationships
.... amount[x] Σ0..1A numeric factor for the relationship, e.g. that a substance salt has some percentage of active substance in relation to some other
..... amountQuantityQuantity
..... amountRatioRatio
..... amountStringstring
.... ratioHighLimitAmount Σ0..1RatioFor use when the numeric has an uncertain range
.... comparator Σ0..1CodeableConceptAn operator for the amount, for example "average", "approximately", "less than"
Binding: Substance Amount Type (Example)
.... source Σ0..*Reference(DocumentReference)Supporting literature

... nucleicAcid Σ0..1Reference(SubstanceNucleicAcid)Data items specific to nucleic acids
... polymer Σ0..1Reference(SubstancePolymer)Data items specific to polymers
... protein Σ0..1Reference(SubstanceProtein)Data items specific to proteins
... sourceMaterial Σ0..1BackboneElementMaterial or taxonomic/anatomical source
.... type Σ0..1CodeableConceptClassification of the origin of the raw material. e.g. cat hair is an Animal source type
Binding: Source Material Type (Example)
.... genus Σ0..1CodeableConceptThe genus of an organism e.g. the Latin epithet of the plant/animal scientific name
Binding: Source Material Genus (Example)
.... species Σ0..1CodeableConceptThe species of an organism e.g. the Latin epithet of the species of the plant/animal
Binding: Source Material Species (Example)
.... part Σ0..1CodeableConceptAn anatomical origin of the source material within an organism
Binding: Source Material Part (Example)
.... countryOfOrigin Σ0..*CodeableConceptThe country or countries where the material is harvested
Binding: Country ValueSet (Required)


doco Documentation for this format icon

See the Extensions for this resource

UML Diagram (Legend)

SubstanceDefinition (DomainResource)Identifier by which this substance is knownidentifier : Identifier [0..*]A business level version identifier of the substanceversion : string [0..1]Status of substance within the catalogue e.g. active, retiredstatus : CodeableConcept [0..1] « null (Strength=Preferred)PublicationStatus? »A high level categorization, e.g. polymer or nucleic acid, or food, chemical, biological, or a lower level such as the general types of polymer (linear or branch chain) or type of impurity (process related or contaminant)classification : CodeableConcept [0..*]If the substance applies to human or veterinary usedomain : CodeableConcept [0..1] « null (Strength=Example)MedicinalProductDomain?? »The quality standard, established benchmark, to which substance complies (e.g. USP/NF, Ph. Eur, JP, BP, Company Standard)grade : CodeableConcept [0..*] « null (Strength=Example)SubstanceGrade?? »Textual description of the substancedescription : markdown [0..1]Supporting literatureinformationSource : Reference [0..*] « Citation »Textual comment about the substance's catalogue or registry recordnote : Annotation [0..*]The entity that creates, makes, produces or fabricates the substance. This is a set of potential manufacturers but is not necessarily comprehensivemanufacturer : Reference [0..*] « Organization »An entity that is the source for the substance. It may be different from the manufacturer. Supplier is synonymous to a distributorsupplier : Reference [0..*] « Organization »General information detailing this substancereferenceInformation : Reference [0..1] « SubstanceReferenceInformation »Data items specific to nucleic acidsnucleicAcid : Reference [0..1] « SubstanceNucleicAcid »Data items specific to polymerspolymer : Reference [0..1] « SubstancePolymer »Data items specific to proteinsprotein : Reference [0..1] « SubstanceProtein »MoietyRole that the moiety is playingrole : CodeableConcept [0..1]Identifier by which this moiety substance is knownidentifier : Identifier [0..1]Textual name for this moiety substancename : string [0..1]Stereochemistry typestereochemistry : CodeableConcept [0..1] « null (Strength=Example)Stereochemistry?? »Optical activity typeopticalActivity : CodeableConcept [0..1] « null (Strength=Example)OpticalActivity?? »Molecular formula for this moiety of this substance, typically using the Hill systemmolecularFormula : string [0..1]Quantitative value for this moietyamount[x] : DataType [0..1] « Quantity|string »The measurement type of the quantitative value. In capturing the actual relative amounts of substances or molecular fragments it may be necessary to indicate whether the amount refers to, for example, a mole ratio or weight ratiomeasurementType : CodeableConcept [0..1] « null (Strength=Example)SubstanceAmountType?? »CharacterizationThe method used to elucidate the characterization of the drug substance. Example: HPLCtechnique : CodeableConcept [0..1] « null (Strength=Example)StructureTechnique?? »Describes the nature of the chemical entity and explains, for instance, whether this is a base or a salt formform : CodeableConcept [0..1] « null (Strength=Example)SubstanceForm?? »The description or justification in support of the interpretation of the data filedescription : markdown [0..1]The data produced by the analytical instrument or a pictorial representation of that data. Examples: a JCAMP, JDX, or ADX file, or a chromatogram or spectrum analysisfile : Attachment [0..*]PropertyA code expressing the type of propertytype : CodeableConcept [1..1] « null (Strength=Example)ProductCharacteristic?? »A value for the propertyvalue[x] : DataType [0..1] « CodeableConcept|Quantity|date|boolean| Attachment »MolecularWeightThe method by which the molecular weight was determinedmethod : CodeableConcept [0..1] « null (Strength=Example)WeightMethod?? »Type of molecular weight such as exact, average (also known as. number average), weight averagetype : CodeableConcept [0..1] « null (Strength=Example)WeightType?? »Used to capture quantitative values for a variety of elements. If only limits are given, the arithmetic mean would be the average. If only a single definite value for a given element is given, it would be captured in this fieldamount : Quantity [1..1]StructureStereochemistry typestereochemistry : CodeableConcept [0..1] « null (Strength=Example)Stereochemistry?? »Optical activity typeopticalActivity : CodeableConcept [0..1] « null (Strength=Example)OpticalActivity?? »An expression which states the number and type of atoms present in a molecule of a substancemolecularFormula : string [0..1]Specified per moiety according to the Hill system, i.e. first C, then H, then alphabetical, each moiety separated by a dotmolecularFormulaByMoiety : string [0..1]The method used to elucidate the structure of the drug substance. Examples: X-ray, NMR, Peptide mapping, Ligand binding assaytechnique : CodeableConcept [0..*] « null (Strength=Example)StructureTechnique?? »The source of information about the structuresourceDocument : Reference [0..*] « DocumentReference »RepresentationThe kind of structural representation (e.g. full, partial)type : CodeableConcept [0..1] « null (Strength=Example)SubstanceRepresentationType?? »The structural representation as a text string in a standard formatrepresentation : string [0..1]The format of the representation e.g. InChI, SMILES, MOLFILE, CDX, SDF, PDB, mmCIF. The logical content type rather than the physical file format of a documentformat : CodeableConcept [0..1] « null (Strength=Example)SubstanceRepresentationFormat?? »An attached file with the structural representation e.g. a molecular structure graphic of the substance, a JCAMP or AnIML filedocument : Reference [0..1] « DocumentReference »codeThe specific codecode : CodeableConcept [0..1]Status of the code assignment, for example 'provisional', 'approved'status : CodeableConcept [0..1] « null (Strength=Preferred)PublicationStatus? »The date at which the code status was changed as part of the terminology maintenancestatusDate : dateTime [0..1]Any comment can be provided in this field, if necessarynote : Annotation [0..*]Supporting literaturesource : Reference [0..*] « DocumentReference »NameThe actual namename : string [1..1]Name type, for example 'systematic', 'scientific, 'brand'type : CodeableConcept [0..1] « null (Strength=Example)SubstanceNameType?? »The status of the name, for example 'current', 'proposed'status : CodeableConcept [0..1] « null (Strength=Preferred)PublicationStatus? »If this is the preferred name for this substancepreferred : boolean [0..1]Human language that the name is written inlanguage : CodeableConcept [0..*] « null (Strength=Required)AllLanguages! »The use context of this name for example if there is a different name a drug active ingredient as opposed to a food colour additivedomain : CodeableConcept [0..*] « null (Strength=Example)SubstanceNameDomain?? »The jurisdiction where this name appliesjurisdiction : CodeableConcept [0..*] « null (Strength=Example)JurisdictionValueSet?? »Supporting literaturesource : Reference [0..*] « DocumentReference »OfficialWhich authority uses this official nameauthority : CodeableConcept [0..1] « null (Strength=Preferred)SubstanceNameAuthority? »The status of the official name, for example 'draft', 'active', 'retired'status : CodeableConcept [0..1] « null (Strength=Preferred)PublicationStatus? »Date of the official name changedate : dateTime [0..1]RelationshipA pointer to another substance, as a resource or just a representational codesubstanceDefinition[x] : DataType [0..1] « Reference( SubstanceDefinition)|CodeableConcept »For example "salt to parent", "active moiety", "starting material", "polymorph", "impurity of"type : CodeableConcept [1..1] « null (Strength=Example)SubstanceRelationshipType?? »For example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible substance relationshipsisDefining : boolean [0..1]A numeric factor for the relationship, for instance to express that the salt of a substance has some percentage of the active substance in relation to some otheramount[x] : DataType [0..1] « Quantity|Ratio|string »For use when the numeric has an uncertain rangeratioHighLimitAmount : Ratio [0..1]An operator for the amount, for example "average", "approximately", "less than"comparator : CodeableConcept [0..1] « null (Strength=Example)SubstanceAmountType?? »Supporting literaturesource : Reference [0..*] « DocumentReference »SourceMaterialA classification that provides the origin of the raw material. Example: cat hair would be an Animal source typetype : CodeableConcept [0..1] « null (Strength=Example)SourceMaterialType?? »The genus of an organism, typically referring to the Latin epithet of the genus element of the plant/animal scientific namegenus : CodeableConcept [0..1] « null (Strength=Example)SourceMaterialGenus?? »The species of an organism, typically referring to the Latin epithet of the species of the plant/animalspecies : CodeableConcept [0..1] « null (Strength=Example)SourceMaterialSpecies?? »An anatomical origin of the source material within an organismpart : CodeableConcept [0..1] « null (Strength=Example)SourceMaterialPart?? »The country or countries where the material is harvestedcountryOfOrigin : CodeableConcept [0..*] « null (Strength=Required)CountryValueSet! »Moiety, for structural modificationsmoiety[0..*]General specifications for this substancecharacterization[0..*]General specifications for this substanceproperty[0..*]The average mass of a molecule of a compound compared to 1/12 the mass of carbon 12 and calculated as the sum of the atomic weights of the constituent atomsmolecularWeight[0..*]The molecular weight or weight range (for proteins, polymers or nucleic acids)molecularWeight[0..1]A depiction of the structure of the substancerepresentation[0..*]Structural informationstructure[0..1]Codes associated with the substancecode[0..*]A synonym of this particular name, by which the substance is also knownsynonym[0..*]A translation for this name into another human languagetranslation[0..*]Details of the official nature of this nameofficial[0..*]Names applicable to this substancename[0..*]A link between this substance and another, with details of the relationshiprelationship[0..*]Material or taxonomic/anatomical source for the substancesourceMaterial[0..1]

XML Template

<SubstanceDefinition xmlns="http://hl7.org/fhir"> doco
 <!-- from Resource: id, meta, implicitRules, and language -->
 <!-- from DomainResource: text, contained, extension, and modifierExtension -->
 <identifier><!-- 0..* Identifier Identifier by which this substance is known --></identifier>
 <version value="[string]"/><!-- 0..1 A business level version identifier of the substance -->
 <status><!-- 0..1 CodeableConcept Status of substance within the catalogue e.g. active, retired --></status>
 <classification><!-- 0..* CodeableConcept A categorization, high level e.g. polymer or nucleic acid, or food, chemical, biological, or lower e.g. polymer linear or branch chain, or type of impurity --></classification>
 <domain><!-- 0..1 CodeableConcept If the substance applies to human or veterinary use --></domain>
 <grade><!-- 0..* CodeableConcept The quality standard, established benchmark, to which substance complies (e.g. USP/NF, BP) --></grade>
 <description value="[markdown]"/><!-- 0..1 Textual description of the substance -->
 <informationSource><!-- 0..* Reference(Citation) Supporting literature --></informationSource>
 <note><!-- 0..* Annotation Textual comment about the substance's catalogue or registry record --></note>
 <manufacturer><!-- 0..* Reference(Organization) The entity that creates, makes, produces or fabricates the substance --></manufacturer>
 <supplier><!-- 0..* Reference(Organization) An entity that is the source for the substance. It may be different from the manufacturer --></supplier>
 <moiety>  <!-- 0..* Moiety, for structural modifications -->
  <role><!-- 0..1 CodeableConcept Role that the moiety is playing --></role>
  <identifier><!-- 0..1 Identifier Identifier by which this moiety substance is known --></identifier>
  <name value="[string]"/><!-- 0..1 Textual name for this moiety substance -->
  <stereochemistry><!-- 0..1 CodeableConcept Stereochemistry type --></stereochemistry>
  <opticalActivity><!-- 0..1 CodeableConcept Optical activity type --></opticalActivity>
  <molecularFormula value="[string]"/><!-- 0..1 Molecular formula for this moiety (e.g. with the Hill system) -->
  <amount[x]><!-- 0..1 Quantity|string Quantitative value for this moiety --></amount[x]>
  <measurementType><!-- 0..1 CodeableConcept The measurement type of the quantitative value --></measurementType>
 </moiety>
 <characterization>  <!-- 0..* General specifications for this substance -->
  <technique><!-- 0..1 CodeableConcept The method used to find the characterization e.g. HPLC --></technique>
  <form><!-- 0..1 CodeableConcept Describes the nature of the chemical entity and explains, for instance, whether this is a base or a salt form --></form>
  <description value="[markdown]"/><!-- 0..1 The description or justification in support of the interpretation of the data file -->
  <file><!-- 0..* Attachment The data produced by the analytical instrument or a pictorial representation of that data. Examples: a JCAMP, JDX, or ADX file, or a chromatogram or spectrum analysis --></file>
 </characterization>
 <property>  <!-- 0..* General specifications for this substance -->
  <type><!-- 1..1 CodeableConcept A code expressing the type of property --></type>
  <value[x]><!-- 0..1 CodeableConcept|Quantity|date|boolean|Attachment A value for the property --></value[x]>
 </property>
 <referenceInformation><!-- 0..1 Reference(SubstanceReferenceInformation) General information detailing this substance --></referenceInformation>
 <molecularWeight>  <!-- 0..* The average mass of a molecule of a compound -->
  <method><!-- 0..1 CodeableConcept The method by which the weight was determined --></method>
  <type><!-- 0..1 CodeableConcept Type of molecular weight e.g. exact, average, weight average --></type>
  <amount><!-- 1..1 Quantity Used to capture quantitative values for a variety of elements --></amount>
 </molecularWeight>
 <structure>  <!-- 0..1 Structural information -->
  <stereochemistry><!-- 0..1 CodeableConcept Stereochemistry type --></stereochemistry>
  <opticalActivity><!-- 0..1 CodeableConcept Optical activity type --></opticalActivity>
  <molecularFormula value="[string]"/><!-- 0..1 An expression which states the number and type of atoms present in a molecule of a substance -->
  <molecularFormulaByMoiety value="[string]"/><!-- 0..1 Specified per moiety according to the Hill system -->
  <molecularWeight><!-- 0..1 Content as for SubstanceDefinition.molecularWeight The molecular weight or weight range --></molecularWeight>
  <technique><!-- 0..* CodeableConcept The method used to find the structure e.g. X-ray, NMR --></technique>
  <sourceDocument><!-- 0..* Reference(DocumentReference) Source of information for the structure --></sourceDocument>
  <representation>  <!-- 0..* A depiction of the structure of the substance -->
   <type><!-- 0..1 CodeableConcept The kind of structural representation (e.g. full, partial) --></type>
   <representation value="[string]"/><!-- 0..1 The structural representation as a text string in a standard format -->
   <format><!-- 0..1 CodeableConcept The format of the representation e.g. InChI, SMILES, MOLFILE (note: not the physical file format) --></format>
   <document><!-- 0..1 Reference(DocumentReference) An attachment with the structural representation e.g. a structure graphic or AnIML file --></document>
  </representation>
 </structure>
 <code>  <!-- 0..* Codes associated with the substance -->
  <code><!-- 0..1 CodeableConcept The specific code --></code>
  <status><!-- 0..1 CodeableConcept Status of the code assignment, for example 'provisional', 'approved' --></status>
  <statusDate value="[dateTime]"/><!-- 0..1 The date at which the code status was changed -->
  <note><!-- 0..* Annotation Any comment can be provided in this field --></note>
  <source><!-- 0..* Reference(DocumentReference) Supporting literature --></source>
 </code>
 <name>  <!-- 0..* Names applicable to this substance -->
  <name value="[string]"/><!-- 1..1 The actual name -->
  <type><!-- 0..1 CodeableConcept Name type e.g. 'systematic',  'scientific, 'brand' --></type>
  <status><!-- 0..1 CodeableConcept The status of the name e.g. 'current', 'proposed' --></status>
  <preferred value="[boolean]"/><!-- 0..1 If this is the preferred name for this substance -->
  <language><!-- 0..* CodeableConcept Human language that the name is written in --></language>
  <domain><!-- 0..* CodeableConcept The use context of this name e.g. as an active ingredient or as a food colour additive --></domain>
  <jurisdiction><!-- 0..* CodeableConcept The jurisdiction where this name applies --></jurisdiction>
  <synonym><!-- 0..* Content as for SubstanceDefinition.name A synonym of this particular name, by which the substance is also known --></synonym>
  <translation><!-- 0..* Content as for SubstanceDefinition.name A translation for this name into another human language --></translation>
  <official>  <!-- 0..* Details of the official nature of this name -->
   <authority><!-- 0..1 CodeableConcept Which authority uses this official name --></authority>
   <status><!-- 0..1 CodeableConcept The status of the official name, for example 'draft', 'active' --></status>
   <date value="[dateTime]"/><!-- 0..1 Date of official name change -->
  </official>
  <source><!-- 0..* Reference(DocumentReference) Supporting literature --></source>
 </name>
 <relationship>  <!-- 0..* A link between this substance and another -->
  <substanceDefinition[x]><!-- 0..1 Reference(SubstanceDefinition)|
    CodeableConcept A pointer to another substance, as a resource or a representational code --></substanceDefinition[x]>
  <type><!-- 1..1 CodeableConcept For example "salt to parent", "active moiety" --></type>
  <isDefining value="[boolean]"/><!-- 0..1 For example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible relationships -->
  <amount[x]><!-- 0..1 Quantity|Ratio|string A numeric factor for the relationship, e.g. that a substance salt has some percentage of active substance in relation to some other --></amount[x]>
  <ratioHighLimitAmount><!-- 0..1 Ratio For use when the numeric has an uncertain range --></ratioHighLimitAmount>
  <comparator><!-- 0..1 CodeableConcept An operator for the amount, for example "average", "approximately", "less than" --></comparator>
  <source><!-- 0..* Reference(DocumentReference) Supporting literature --></source>
 </relationship>
 <nucleicAcid><!-- 0..1 Reference(SubstanceNucleicAcid) Data items specific to nucleic acids --></nucleicAcid>
 <polymer><!-- 0..1 Reference(SubstancePolymer) Data items specific to polymers --></polymer>
 <protein><!-- 0..1 Reference(SubstanceProtein) Data items specific to proteins --></protein>
 <sourceMaterial>  <!-- 0..1 Material or taxonomic/anatomical source -->
  <type><!-- 0..1 CodeableConcept Classification of the origin of the raw material. e.g. cat hair is an Animal source type --></type>
  <genus><!-- 0..1 CodeableConcept The genus of an organism e.g. the Latin epithet of the plant/animal scientific name --></genus>
  <species><!-- 0..1 CodeableConcept The species of an organism e.g. the Latin epithet of the species of the plant/animal --></species>
  <part><!-- 0..1 CodeableConcept An anatomical origin of the source material within an organism --></part>
  <countryOfOrigin><!-- 0..* CodeableConcept The country or countries where the material is harvested --></countryOfOrigin>
 </sourceMaterial>
</SubstanceDefinition>

JSON Template

{doco
  "resourceType" : "SubstanceDefinition",
  // from Resource: id, meta, implicitRules, and language
  // from DomainResource: text, contained, extension, and modifierExtension
  "identifier" : [{ Identifier }], // Identifier by which this substance is known
  "version" : "<string>", // A business level version identifier of the substance
  "status" : { CodeableConcept }, // Status of substance within the catalogue e.g. active, retired
  "classification" : [{ CodeableConcept }], // A categorization, high level e.g. polymer or nucleic acid, or food, chemical, biological, or lower e.g. polymer linear or branch chain, or type of impurity
  "domain" : { CodeableConcept }, // If the substance applies to human or veterinary use
  "grade" : [{ CodeableConcept }], // The quality standard, established benchmark, to which substance complies (e.g. USP/NF, BP)
  "description" : "<markdown>", // Textual description of the substance
  "informationSource" : [{ Reference(Citation) }], // Supporting literature
  "note" : [{ Annotation }], // Textual comment about the substance's catalogue or registry record
  "manufacturer" : [{ Reference(Organization) }], // The entity that creates, makes, produces or fabricates the substance
  "supplier" : [{ Reference(Organization) }], // An entity that is the source for the substance. It may be different from the manufacturer
  "moiety" : [{ // Moiety, for structural modifications
    "role" : { CodeableConcept }, // Role that the moiety is playing
    "identifier" : { Identifier }, // Identifier by which this moiety substance is known
    "name" : "<string>", // Textual name for this moiety substance
    "stereochemistry" : { CodeableConcept }, // Stereochemistry type
    "opticalActivity" : { CodeableConcept }, // Optical activity type
    "molecularFormula" : "<string>", // Molecular formula for this moiety (e.g. with the Hill system)
    // amount[x]: Quantitative value for this moiety. One of these 2:
    "amountQuantity" : { Quantity },
    "amountString" : "<string>",
    "measurementType" : { CodeableConcept } // The measurement type of the quantitative value
  }],
  "characterization" : [{ // General specifications for this substance
    "technique" : { CodeableConcept }, // The method used to find the characterization e.g. HPLC
    "form" : { CodeableConcept }, // Describes the nature of the chemical entity and explains, for instance, whether this is a base or a salt form
    "description" : "<markdown>", // The description or justification in support of the interpretation of the data file
    "file" : [{ Attachment }] // The data produced by the analytical instrument or a pictorial representation of that data. Examples: a JCAMP, JDX, or ADX file, or a chromatogram or spectrum analysis
  }],
  "property" : [{ // General specifications for this substance
    "type" : { CodeableConcept }, // R!  A code expressing the type of property
    // value[x]: A value for the property. One of these 5:
    "valueCodeableConcept" : { CodeableConcept },
    "valueQuantity" : { Quantity },
    "valueDate" : "<date>",
    "valueBoolean" : <boolean>,
    "valueAttachment" : { Attachment }
  }],
  "referenceInformation" : { Reference(SubstanceReferenceInformation) }, // General information detailing this substance
  "molecularWeight" : [{ // The average mass of a molecule of a compound
    "method" : { CodeableConcept }, // The method by which the weight was determined
    "type" : { CodeableConcept }, // Type of molecular weight e.g. exact, average, weight average
    "amount" : { Quantity } // R!  Used to capture quantitative values for a variety of elements
  }],
  "structure" : { // Structural information
    "stereochemistry" : { CodeableConcept }, // Stereochemistry type
    "opticalActivity" : { CodeableConcept }, // Optical activity type
    "molecularFormula" : "<string>", // An expression which states the number and type of atoms present in a molecule of a substance
    "molecularFormulaByMoiety" : "<string>", // Specified per moiety according to the Hill system
    "molecularWeight" : { Content as for SubstanceDefinition.molecularWeight }, // The molecular weight or weight range
    "technique" : [{ CodeableConcept }], // The method used to find the structure e.g. X-ray, NMR
    "sourceDocument" : [{ Reference(DocumentReference) }], // Source of information for the structure
    "representation" : [{ // A depiction of the structure of the substance
      "type" : { CodeableConcept }, // The kind of structural representation (e.g. full, partial)
      "representation" : "<string>", // The structural representation as a text string in a standard format
      "format" : { CodeableConcept }, // The format of the representation e.g. InChI, SMILES, MOLFILE (note: not the physical file format)
      "document" : { Reference(DocumentReference) } // An attachment with the structural representation e.g. a structure graphic or AnIML file
    }]
  },
  "code" : [{ // Codes associated with the substance
    "code" : { CodeableConcept }, // The specific code
    "status" : { CodeableConcept }, // Status of the code assignment, for example 'provisional', 'approved'
    "statusDate" : "<dateTime>", // The date at which the code status was changed
    "note" : [{ Annotation }], // Any comment can be provided in this field
    "source" : [{ Reference(DocumentReference) }] // Supporting literature
  }],
  "name" : [{ // Names applicable to this substance
    "name" : "<string>", // R!  The actual name
    "type" : { CodeableConcept }, // Name type e.g. 'systematic',  'scientific, 'brand'
    "status" : { CodeableConcept }, // The status of the name e.g. 'current', 'proposed'
    "preferred" : <boolean>, // If this is the preferred name for this substance
    "language" : [{ CodeableConcept }], // Human language that the name is written in
    "domain" : [{ CodeableConcept }], // The use context of this name e.g. as an active ingredient or as a food colour additive
    "jurisdiction" : [{ CodeableConcept }], // The jurisdiction where this name applies
    "synonym" : [{ Content as for SubstanceDefinition.name }], // A synonym of this particular name, by which the substance is also known
    "translation" : [{ Content as for SubstanceDefinition.name }], // A translation for this name into another human language
    "official" : [{ // Details of the official nature of this name
      "authority" : { CodeableConcept }, // Which authority uses this official name
      "status" : { CodeableConcept }, // The status of the official name, for example 'draft', 'active'
      "date" : "<dateTime>" // Date of official name change
    }],
    "source" : [{ Reference(DocumentReference) }] // Supporting literature
  }],
  "relationship" : [{ // A link between this substance and another
    // substanceDefinition[x]: A pointer to another substance, as a resource or a representational code. One of these 2:
    "substanceDefinitionReference" : { Reference(SubstanceDefinition) },
    "substanceDefinitionCodeableConcept" : { CodeableConcept },
    "type" : { CodeableConcept }, // R!  For example "salt to parent", "active moiety"
    "isDefining" : <boolean>, // For example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible relationships
    // amount[x]: 
      A numeric factor for the relationship, e.g. that a substance salt has some percentage of active substance in relation to some other. One of these 3:
    "amountQuantity" : { Quantity },
    "amountRatio" : { Ratio },
    "amountString" : "<string>",
    "ratioHighLimitAmount" : { Ratio }, // For use when the numeric has an uncertain range
    "comparator" : { CodeableConcept }, // An operator for the amount, for example "average", "approximately", "less than"
    "source" : [{ Reference(DocumentReference) }] // Supporting literature
  }],
  "nucleicAcid" : { Reference(SubstanceNucleicAcid) }, // Data items specific to nucleic acids
  "polymer" : { Reference(SubstancePolymer) }, // Data items specific to polymers
  "protein" : { Reference(SubstanceProtein) }, // Data items specific to proteins
  "sourceMaterial" : { // Material or taxonomic/anatomical source
    "type" : { CodeableConcept }, // Classification of the origin of the raw material. e.g. cat hair is an Animal source type
    "genus" : { CodeableConcept }, // The genus of an organism e.g. the Latin epithet of the plant/animal scientific name
    "species" : { CodeableConcept }, // The species of an organism e.g. the Latin epithet of the species of the plant/animal
    "part" : { CodeableConcept }, // An anatomical origin of the source material within an organism
    "countryOfOrigin" : [{ CodeableConcept }] // The country or countries where the material is harvested
  }
}

Turtle Template

@prefix fhir: <http://hl7.org/fhir/> .doco


[ a fhir:SubstanceDefinition;
  fhir:nodeRole fhir:treeRoot; # if this is the parser root

  # from Resource: .id, .meta, .implicitRules, and .language
  # from DomainResource: .text, .contained, .extension, and .modifierExtension
  fhir:identifier  ( [ Identifier ] ... ) ; # 0..* Identifier by which this substance is known
  fhir:version [ string ] ; # 0..1 A business level version identifier of the substance
  fhir:status [ CodeableConcept ] ; # 0..1 Status of substance within the catalogue e.g. active, retired
  fhir:classification  ( [ CodeableConcept ] ... ) ; # 0..* A categorization, high level e.g. polymer or nucleic acid, or food, chemical, biological, or lower e.g. polymer linear or branch chain, or type of impurity
  fhir:domain [ CodeableConcept ] ; # 0..1 If the substance applies to human or veterinary use
  fhir:grade  ( [ CodeableConcept ] ... ) ; # 0..* The quality standard, established benchmark, to which substance complies (e.g. USP/NF, BP)
  fhir:description [ markdown ] ; # 0..1 Textual description of the substance
  fhir:informationSource  ( [ Reference(Citation) ] ... ) ; # 0..* Supporting literature
  fhir:note  ( [ Annotation ] ... ) ; # 0..* Textual comment about the substance's catalogue or registry record
  fhir:manufacturer  ( [ Reference(Organization) ] ... ) ; # 0..* The entity that creates, makes, produces or fabricates the substance
  fhir:supplier  ( [ Reference(Organization) ] ... ) ; # 0..* An entity that is the source for the substance. It may be different from the manufacturer
  fhir:moiety ( [ # 0..* Moiety, for structural modifications
    fhir:role [ CodeableConcept ] ; # 0..1 Role that the moiety is playing
    fhir:identifier [ Identifier ] ; # 0..1 Identifier by which this moiety substance is known
    fhir:name [ string ] ; # 0..1 Textual name for this moiety substance
    fhir:stereochemistry [ CodeableConcept ] ; # 0..1 Stereochemistry type
    fhir:opticalActivity [ CodeableConcept ] ; # 0..1 Optical activity type
    fhir:molecularFormula [ string ] ; # 0..1 Molecular formula for this moiety (e.g. with the Hill system)
    # amount[x] : 0..1 Quantitative value for this moiety. One of these 2
      fhir:amount [  a fhir:Quantity ; Quantity ]
      fhir:amount [  a fhir:string ; string ]
    fhir:measurementType [ CodeableConcept ] ; # 0..1 The measurement type of the quantitative value
  ] ... ) ;
  fhir:characterization ( [ # 0..* General specifications for this substance
    fhir:technique [ CodeableConcept ] ; # 0..1 The method used to find the characterization e.g. HPLC
    fhir:form [ CodeableConcept ] ; # 0..1 Describes the nature of the chemical entity and explains, for instance, whether this is a base or a salt form
    fhir:description [ markdown ] ; # 0..1 The description or justification in support of the interpretation of the data file
    fhir:file  ( [ Attachment ] ... ) ; # 0..* The data produced by the analytical instrument or a pictorial representation of that data. Examples: a JCAMP, JDX, or ADX file, or a chromatogram or spectrum analysis
  ] ... ) ;
  fhir:property ( [ # 0..* General specifications for this substance
    fhir:type [ CodeableConcept ] ; # 1..1 A code expressing the type of property
    # value[x] : 0..1 A value for the property. One of these 5
      fhir:value [  a fhir:CodeableConcept ; CodeableConcept ]
      fhir:value [  a fhir:Quantity ; Quantity ]
      fhir:value [  a fhir:date ; date ]
      fhir:value [  a fhir:boolean ; boolean ]
      fhir:value [  a fhir:Attachment ; Attachment ]
  ] ... ) ;
  fhir:referenceInformation [ Reference(SubstanceReferenceInformation) ] ; # 0..1 General information detailing this substance
  fhir:molecularWeight ( [ # 0..* The average mass of a molecule of a compound
    fhir:method [ CodeableConcept ] ; # 0..1 The method by which the weight was determined
    fhir:type [ CodeableConcept ] ; # 0..1 Type of molecular weight e.g. exact, average, weight average
    fhir:amount [ Quantity ] ; # 1..1 Used to capture quantitative values for a variety of elements
  ] ... ) ;
  fhir:structure [ # 0..1 Structural information
    fhir:stereochemistry [ CodeableConcept ] ; # 0..1 Stereochemistry type
    fhir:opticalActivity [ CodeableConcept ] ; # 0..1 Optical activity type
    fhir:molecularFormula [ string ] ; # 0..1 An expression which states the number and type of atoms present in a molecule of a substance
    fhir:molecularFormulaByMoiety [ string ] ; # 0..1 Specified per moiety according to the Hill system
    fhir:molecularWeight [ See SubstanceDefinition.molecularWeight ] ; # 0..1 The molecular weight or weight range
    fhir:technique  ( [ CodeableConcept ] ... ) ; # 0..* The method used to find the structure e.g. X-ray, NMR
    fhir:sourceDocument  ( [ Reference(DocumentReference) ] ... ) ; # 0..* Source of information for the structure
    fhir:representation ( [ # 0..* A depiction of the structure of the substance
      fhir:type [ CodeableConcept ] ; # 0..1 The kind of structural representation (e.g. full, partial)
      fhir:representation [ string ] ; # 0..1 The structural representation as a text string in a standard format
      fhir:format [ CodeableConcept ] ; # 0..1 The format of the representation e.g. InChI, SMILES, MOLFILE (note: not the physical file format)
      fhir:document [ Reference(DocumentReference) ] ; # 0..1 An attachment with the structural representation e.g. a structure graphic or AnIML file
    ] ... ) ;
  ] ;
  fhir:code ( [ # 0..* Codes associated with the substance
    fhir:code [ CodeableConcept ] ; # 0..1 The specific code
    fhir:status [ CodeableConcept ] ; # 0..1 Status of the code assignment, for example 'provisional', 'approved'
    fhir:statusDate [ dateTime ] ; # 0..1 The date at which the code status was changed
    fhir:note  ( [ Annotation ] ... ) ; # 0..* Any comment can be provided in this field
    fhir:source  ( [ Reference(DocumentReference) ] ... ) ; # 0..* Supporting literature
  ] ... ) ;
  fhir:name ( [ # 0..* Names applicable to this substance
    fhir:name [ string ] ; # 1..1 The actual name
    fhir:type [ CodeableConcept ] ; # 0..1 Name type e.g. 'systematic',  'scientific, 'brand'
    fhir:status [ CodeableConcept ] ; # 0..1 The status of the name e.g. 'current', 'proposed'
    fhir:preferred [ boolean ] ; # 0..1 If this is the preferred name for this substance
    fhir:language  ( [ CodeableConcept ] ... ) ; # 0..* Human language that the name is written in
    fhir:domain  ( [ CodeableConcept ] ... ) ; # 0..* The use context of this name e.g. as an active ingredient or as a food colour additive
    fhir:jurisdiction  ( [ CodeableConcept ] ... ) ; # 0..* The jurisdiction where this name applies
    fhir:synonym  ( [ See SubstanceDefinition.name ] ... ) ; # 0..* A synonym of this particular name, by which the substance is also known
    fhir:translation  ( [ See SubstanceDefinition.name ] ... ) ; # 0..* A translation for this name into another human language
    fhir:official ( [ # 0..* Details of the official nature of this name
      fhir:authority [ CodeableConcept ] ; # 0..1 Which authority uses this official name
      fhir:status [ CodeableConcept ] ; # 0..1 The status of the official name, for example 'draft', 'active'
      fhir:date [ dateTime ] ; # 0..1 Date of official name change
    ] ... ) ;
    fhir:source  ( [ Reference(DocumentReference) ] ... ) ; # 0..* Supporting literature
  ] ... ) ;
  fhir:relationship ( [ # 0..* A link between this substance and another
    # substanceDefinition[x] : 0..1 A pointer to another substance, as a resource or a representational code. One of these 2
      fhir:substanceDefinition [  a fhir:Reference ; Reference(SubstanceDefinition) ]
      fhir:substanceDefinition [  a fhir:CodeableConcept ; CodeableConcept ]
    fhir:type [ CodeableConcept ] ; # 1..1 For example "salt to parent", "active moiety"
    fhir:isDefining [ boolean ] ; # 0..1 For example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible relationships
    # amount[x] : 0..1 A numeric factor for the relationship, e.g. that a substance salt has some percentage of active substance in relation to some other. One of these 3
      fhir:amount [  a fhir:Quantity ; Quantity ]
      fhir:amount [  a fhir:Ratio ; Ratio ]
      fhir:amount [  a fhir:string ; string ]
    fhir:ratioHighLimitAmount [ Ratio ] ; # 0..1 For use when the numeric has an uncertain range
    fhir:comparator [ CodeableConcept ] ; # 0..1 An operator for the amount, for example "average", "approximately", "less than"
    fhir:source  ( [ Reference(DocumentReference) ] ... ) ; # 0..* Supporting literature
  ] ... ) ;
  fhir:nucleicAcid [ Reference(SubstanceNucleicAcid) ] ; # 0..1 Data items specific to nucleic acids
  fhir:polymer [ Reference(SubstancePolymer) ] ; # 0..1 Data items specific to polymers
  fhir:protein [ Reference(SubstanceProtein) ] ; # 0..1 Data items specific to proteins
  fhir:sourceMaterial [ # 0..1 Material or taxonomic/anatomical source
    fhir:type [ CodeableConcept ] ; # 0..1 Classification of the origin of the raw material. e.g. cat hair is an Animal source type
    fhir:genus [ CodeableConcept ] ; # 0..1 The genus of an organism e.g. the Latin epithet of the plant/animal scientific name
    fhir:species [ CodeableConcept ] ; # 0..1 The species of an organism e.g. the Latin epithet of the species of the plant/animal
    fhir:part [ CodeableConcept ] ; # 0..1 An anatomical origin of the source material within an organism
    fhir:countryOfOrigin  ( [ CodeableConcept ] ... ) ; # 0..* The country or countries where the material is harvested
  ] ;
]

Changes since Release 4

This resource did not exist in Release 3

This analysis is available as XML or JSON.

 

Additional definitions: Master Definition XML + JSON, XML Schema/Schematron + JSON Schema, ShEx (for Turtle) + see the extensions, the spreadsheet version & the dependency analysis

15.9.3.1 Terminology Bindings

PathValueSetTypeDocumentation
SubstanceDefinition.status PublicationStatus Preferred

The lifecycle status of an artifact.
SubstanceDefinition.domain MedicinalProductDomain Example

Applicable domain for this product (e.g. human, veterinary)
SubstanceDefinition.grade SubstanceGrade Example

The quality standard, established benchmark, to which a substance complies.
SubstanceDefinition.moiety.stereochemistry Stereochemistry (a valid code from Substance Stereochemistry)Example

The optical rotation type of a substance.
SubstanceDefinition.moiety.opticalActivity OpticalActivity (a valid code from Substance Optical Activity)Example

The optical rotation type of a substance.
SubstanceDefinition.moiety.measurementType SubstanceAmountType Example

The relationship between two substance types.
SubstanceDefinition.characterization.technique StructureTechnique (a valid code from Substance Structure Technique)Example

The method used to elucidate the structure or characterization of the drug substance.
SubstanceDefinition.characterization.form SubstanceForm Example

The substance form, whether it is the base form or a salt.
SubstanceDefinition.property.type ProductCharacteristic Example

This value set includes all observable entity codes from SNOMED CT - provided as an exemplar value set.
SubstanceDefinition.molecularWeight.method WeightMethod (a valid code from Substance Weight Method)Example

The method by which the substance weight was measured.
SubstanceDefinition.molecularWeight.type WeightType (a valid code from Substance Weight Type)Example

The type of substance weight measurement.
SubstanceDefinition.structure.stereochemistry Stereochemistry (a valid code from Substance Stereochemistry)Example

The optical rotation type of a substance.
SubstanceDefinition.structure.opticalActivity OpticalActivity (a valid code from Substance Optical Activity)Example

The optical rotation type of a substance.
SubstanceDefinition.structure.technique StructureTechnique (a valid code from Substance Structure Technique)Example

The method used to elucidate the structure or characterization of the drug substance.
SubstanceDefinition.structure.representation.type SubstanceRepresentationType Example

The type of a name given to a substance.
SubstanceDefinition.structure.representation.format SubstanceRepresentationFormat Example

A format of a substance representation.
SubstanceDefinition.code.status PublicationStatus Preferred

The lifecycle status of an artifact.
SubstanceDefinition.name.type SubstanceNameType Example

The type of a name given to a substance.
SubstanceDefinition.name.status PublicationStatus Preferred

The lifecycle status of an artifact.
SubstanceDefinition.name.language AllLanguages (a valid code from Tags for the Identification of Languages icon)Required

This value set includes all possible codes from BCP-47 (see http://tools.ietf.org/html/bcp47)
  Common Languages starter
SubstanceDefinition.name.domain SubstanceNameDomain Example

The use context of a substance name for example if there is a different name when used as a drug active ingredient as opposed to a food colour additive.
SubstanceDefinition.name.jurisdiction JurisdictionValueSet Example

This value set defines a base set of codes for country, country subdivision and region for indicating where a resource is intended to be used.

Note: The codes for countries and country subdivisions are taken from ISO 3166 icon while the codes for "supra-national" regions are from UN Standard country or area codes for statistical use (M49) icon.
SubstanceDefinition.name.official.authority SubstanceNameAuthority Preferred

An authority that officates substance names.
SubstanceDefinition.name.official.status PublicationStatus Preferred

The lifecycle status of an artifact.
SubstanceDefinition.relationship.type SubstanceRelationshipType Example

The relationship between two substance types.
SubstanceDefinition.relationship.comparator SubstanceAmountType Example

The relationship between two substance types.
SubstanceDefinition.sourceMaterial.type SourceMaterialType (a valid code from Substance Source Material Type)Example

A classification that provides the origin of the substance raw material.
SubstanceDefinition.sourceMaterial.genus SourceMaterialGenus (a valid code from Substance Source Material Genus)Example

The genus of an organism, typically referring to the Latin epithet of the genus element of the plant/animal scientific name.
SubstanceDefinition.sourceMaterial.species SourceMaterialSpecies (a valid code from Substance Source Material Species)Example

A species of origin a substance raw material.
SubstanceDefinition.sourceMaterial.part SourceMaterialPart (a valid code from Substance Source Material Part)Example

An anatomical origin of the source material within an organism.
SubstanceDefinition.sourceMaterial.countryOfOrigin CountryValueSet (a valid code from ISO 3166-1 Codes for the representation of names of countries and their subdivisions — Part 1: Country code icon)Required

This value set defines a base set of codes for countries.

Note: The codes for countries are taken from ISO 3166 icon.

15.9.4 Search Parameters

Search parameters for this resource. See also the full list of search parameters for this resource, and check the Extensions registry for search parameters on extensions related to this resource. The common parameters also apply. See Searching for more information about searching in REST, messaging, and services.

NameTypeDescriptionExpressionIn Common
classificationtokenHigh or low level categorization, e.g. polymer vs. nucleic acid or linear vs. branch chainSubstanceDefinition.classification
codetokenThe specific codeSubstanceDefinition.code.code
domaintokenIf the substance applies to only human or veterinary useSubstanceDefinition.domain
identifiertokenIdentifier by which this substance is knownSubstanceDefinition.identifier
namestringThe actual nameSubstanceDefinition.name.name