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

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