description: Substance General Information containing Drug Substance (Active Ingredient) nomenclature (3.2.S.1.1) and Substance Structure (3.2.S.1.2) profile.
package_name: hl7.fhir.us.pq
derivation: constraint
name: DrugSubstanceNomenclatureStructure
type: SubstanceDefinition
elements:
  supplier:
    type: Reference
    mustSupport: true
    refers: ['http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/cmc-organization']
    index: 3
  name:
    short: Subtance Name
    constraint:
      cmc-name-preferred: {human: 'Name.preferred: at most one = true', source: 'http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-drug-substance-nomenclature-structure', severity: error, expression: select(preferred = true).count() < 2}
    mustSupport: true
    index: 32
    elements:
      type:
        binding: {strength: required, valueSet: 'http://hl7.org/fhir/us/pq-cmc-fda/ValueSet/pqcmc-substance-name-type'}
        index: 33
      preferred: {short: True when the name type is Substance Name, mustSupport: true, index: 34}
    slicing:
      rules: closed
      description: Slice based on value pattern
      discriminator:
      - {path: type, type: value}
      min: 1
      slices:
        sub:
          match:
            type:
              coding:
              - {code: C97054, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: Generic Name}
          schema:
            mustSupport: true
            index: 39
            elements:
              name: {short: Generic, mustSupport: true, index: 40}
              type:
                mustSupport: true
                pattern:
                  type: CodeableConcept
                  value:
                    coding:
                    - {code: C97054, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: Generic Name}
                index: 41
              preferred: {mustSupport: true, index: 42}
            required: [type]
        isbt:
          match:
            type:
              coding:
              - {code: C95517, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: ISBT-128 DIN}
          schema:
            mustSupport: true
            index: 71
            elements:
              name: {short: ISBT-128 DIN, mustSupport: true, index: 72}
              type:
                mustSupport: true
                pattern:
                  type: CodeableConcept
                  value:
                    coding:
                    - {code: C95517, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: ISBT-128 DIN}
                index: 73
              preferred: {mustSupport: true, index: 74}
            required: [type]
        cas:
          match:
            type:
              coding:
              - {code: C54682, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: CAS Number}
          schema:
            mustSupport: true
            index: 55
            elements:
              name: {short: CAS Number, mustSupport: true, index: 56}
              type:
                mustSupport: true
                pattern:
                  type: CodeableConcept
                  value:
                    coding:
                    - {code: C54682, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: CAS Number}
                index: 57
              preferred: {mustSupport: true, index: 58}
            required: [type]
        brand:
          match:
            type:
              coding:
              - {code: C71898, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: Brand}
          schema:
            mustSupport: true
            index: 43
            elements:
              name: {short: Brand, mustSupport: true, index: 44}
              type:
                mustSupport: true
                pattern:
                  type: CodeableConcept
                  value:
                    coding:
                    - {code: C71898, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: Brand}
                index: 45
              preferred: {mustSupport: true, index: 46}
            required: [type]
        usan:
          match:
            type:
              coding:
              - {code: C96973, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: USAN}
          schema:
            mustSupport: true
            index: 63
            elements:
              name: {short: USAN, mustSupport: true, index: 64}
              type:
                mustSupport: true
                pattern:
                  type: CodeableConcept
                  value:
                    coding:
                    - {code: C96973, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: USAN}
                index: 65
              preferred: {mustSupport: true, index: 66}
            required: [type]
        inn:
          match:
            type:
              coding:
              - {code: C142585, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: INN}
          schema:
            mustSupport: true
            index: 59
            elements:
              name: {short: INN, mustSupport: true, index: 60}
              type:
                mustSupport: true
                pattern:
                  type: CodeableConcept
                  value:
                    coding:
                    - {code: C142585, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: INN}
                index: 61
              preferred: {mustSupport: true, index: 62}
            required: [type]
        gsrs:
          match:
            type:
              coding:
              - {code: C203355, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: GSRS Preferred Term}
          schema:
            mustSupport: true
            index: 47
            elements:
              name: {short: GSRS Preferred Term, mustSupport: true, index: 48}
              type:
                mustSupport: true
                pattern:
                  type: CodeableConcept
                  value:
                    coding:
                    - {code: C203355, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: GSRS Preferred Term}
                index: 49
              preferred: {mustSupport: true, index: 50}
            required: [type]
        iupac:
          match:
            type:
              coding:
              - {code: C203356, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: IUPAC Name}
          schema:
            mustSupport: true
            index: 67
            elements:
              name: {short: IUPAC Name, mustSupport: true, index: 68}
              type:
                mustSupport: true
                pattern:
                  type: CodeableConcept
                  value:
                    coding:
                    - {code: C203356, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: IUPAC Name}
                index: 69
              preferred: {mustSupport: true, index: 70}
            required: [type]
        sys:
          match:
            type:
              coding:
              - {code: C203357, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: Systematic Name}
          schema:
            mustSupport: true
            index: 35
            elements:
              name: {short: Systematic, mustSupport: true, index: 36}
              type:
                mustSupport: true
                pattern:
                  type: CodeableConcept
                  value:
                    coding:
                    - {code: C203357, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: Systematic Name}
                index: 37
              preferred: {mustSupport: true, index: 38}
            required: [type]
        usp:
          match:
            type:
              coding:
              - {code: C203358, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: USP-NF Established Name}
          schema:
            mustSupport: true
            index: 51
            elements:
              name: {short: USP-NF Established Name, mustSupport: true, index: 52}
              type:
                mustSupport: true
                pattern:
                  type: CodeableConcept
                  value:
                    coding:
                    - {code: C203358, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: USP-NF Established Name}
                index: 53
              preferred: {mustSupport: true, index: 54}
            required: [type]
        comp:
          match:
            type:
              coding:
              - {code: C203354, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: Company ID/Code}
          schema:
            mustSupport: true
            index: 75
            elements:
              name: {short: Company ID/Code, mustSupport: true, index: 76}
              type:
                mustSupport: true
                pattern:
                  type: CodeableConcept
                  value:
                    coding:
                    - {code: C203354, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl', display: Company ID/Code}
                index: 77
              preferred: {mustSupport: true, index: 78}
            required: [type]
  relationship:
    mustSupport: true
    index: 79
    elements:
      substanceDefinition:
        short: The substance definition of a polyphorm of the Drug Substance
        choices: [substanceDefinitionReference]
        index: 81
      substanceDefinitionReference:
        type: Reference
        short: The substance definition of a polyphorm of the Drug Substance
        choiceOf: substanceDefinition
        refers: ['http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-polymorphic-form']
        index: 82
      type:
        type: CodeableConcept
        short: Polymorph
        index: 83
        elements:
          text:
            pattern: {type: String, value: Polymorph}
            index: 84
  classification:
    short: Substance Type
    binding: {strength: required, valueSet: 'http://hl7.org/fhir/us/pq-cmc-fda/ValueSet/substance-classification'}
    mustSupport: true
    index: 1
  structure:
    constraint:
      cmc-structure-representation-required:
        human: Either a file or string structure representation is required
        source: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-drug-substance-nomenclature-structure
        severity: error
        expression: |-
          representation.type.coding.where(
            system = 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl'
            and (code in ('C45253' | 'C103240'))
          ).exists()
    mustSupport: true
    index: 8
    elements:
      molecularFormula: {short: Molecular Formula | Biopolymer Sequence, mustSupport: true, index: 9}
      technique: {type: CodeableConcept, short: Substance Characterisation Technique, mustSupport: true, index: 10}
      representation:
        short: Impurity Structure Graphic | Impurity Structure Data File
        mustSupport: true
        index: 11
        elements:
          type:
            binding: {strength: required, valueSet: 'http://hl7.org/fhir/us/pq-cmc-fda/ValueSet/pqcmc-representation-types'}
            mustSupport: true
            index: 12
        required: [type]
        slicing:
          rules: closed
          ordered: false
          discriminator:
          - {path: type, type: value}
          min: 1
          slices:
            graphic:
              match:
                type:
                  coding:
                  - {code: C54273, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl'}
              schema:
                short: A graphical, displayable depiction of the structure (e.g. an SVG, PNG)
                index: 13
                elements:
                  type:
                    short: Graphic
                    pattern:
                      type: CodeableConcept
                      value:
                        coding:
                        - {code: C54273, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl'}
                    index: 14
                  document:
                    type: Reference
                    short: Impurity Structure Graphic
                    refers: ['http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-graphic-reference']
                    index: 15
                required: [document]
            structureFile:
              match:
                type:
                  coding:
                  - {code: C103240, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl'}
              schema:
                short: machine-readable representation -- attached file
                array: true
                index: 16
                elements:
                  type:
                    short: Structure File
                    pattern:
                      type: CodeableConcept
                      value:
                        coding:
                        - {code: C103240, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl'}
                    index: 17
                  document:
                    type: Reference
                    short: Impurity Chemical Structure Data (files, e.g. .SDF, .CIF)
                    mustSupport: true
                    refers: ['http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-structure-reference']
                    index: 18
                required: [document]
            structureString:
              match:
                type:
                  coding:
                  - {code: C45253, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl'}
              schema:
                short: machine-readable representation -- plain text
                array: true
                index: 19
                elements:
                  type:
                    short: Structure Textual
                    pattern:
                      type: CodeableConcept
                      value:
                        coding:
                        - {code: C45253, system: 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl'}
                    index: 20
                  representation: {short: 'Impurity Chemical Structure Data (short, plain text representations, e.g. SMILES)', mustSupport: true, index: 21}
                  format:
                    short: Drug Substance Impurity Method Type
                    binding: {strength: required, valueSet: 'http://hl7.org/fhir/us/pq-cmc-fda/ValueSet/pqcmc-chemical-structure-datafile-type-terminology'}
                    mustSupport: true
                    index: 22
                required: [representation, format]
    required: [representation, technique]
  code:
    mustSupport: true
    index: 23
    slicing:
      rules: open
      discriminator:
      - {path: code.coding.system, type: value}
      min: 1
      slices:
        unii:
          match:
            code:
              coding: {system: 'http://fdasis.nlm.nih.gov'}
          schema:
            short: UNII
            index: 24
            elements:
              code:
                mustSupport: true
                index: 25
                elements:
                  coding:
                    mustSupport: true
                    index: 26
                    elements:
                      system:
                        pattern: {type: Uri, value: 'http://fdasis.nlm.nih.gov'}
                        mustSupport: true
                        index: 27
                    required: [system]
                required: [coding]
            required: [code]
        uniProt:
          match:
            code:
              coding: {system: 'https://www.uniprot.org'}
          schema:
            short: UniProt ID
            index: 28
            elements:
              code:
                mustSupport: true
                index: 29
                elements:
                  coding:
                    mustSupport: true
                    index: 30
                    elements:
                      system:
                        pattern: {type: Uri, value: 'https://www.uniprot.org'}
                        mustSupport: true
                        index: 31
                    required: [system]
                required: [coding]
            required: [code]
  identifier: {short: optional user designated identifier, mustSupport: true, index: 0}
  molecularWeight:
    short: Molecular Weight
    mustSupport: true
    index: 4
    elements:
      amount:
        binding: {strength: extensible, valueSet: 'http://hl7.org/fhir/us/pq-cmc-fda/ValueSet/pqcmc-units-of-measure'}
        mustSupport: true
        index: 5
        elements:
          unit: {short: Molecular Weight UOM, index: 6}
          code: {mustSupport: true, index: 7}
        required: [code]
  manufacturer:
    type: Reference
    mustSupport: true
    refers: ['http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/cmc-organization']
    index: 2
package_version: cmc-fda-1.0.0
class: profile
kind: resource
url: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-drug-substance-nomenclature-structure
base: http://hl7.org/fhir/StructureDefinition/SubstanceDefinition
version: 1.0.0
required: [structure, manufacturer, name, code, classification]