ISOCAFFEINE
UNII N4HG7T2QGW

Substance Identification & Data

This profile provides standardized clinical and technical data for Isocaffeine, uniquely identified by the FDA Unique Ingredient Identifier (UNII) N4HG7T2QGW.

Technical mappings include the Chemical Abstracts Service (CAS) Registry Number 519-32-4 and the RxNorm Concept ID (RxCUI) N/A. Explore the sections below for detailed nomenclature and a complete directory of NDC-listed products containing this ingredient.

FDA UNII Code
N4HG7T2QGW
CAS Registry Number
519-32-4
RxNorm Concept ID
N/A

Detailed Substance Profile

Preferred Name
ISOCAFFEINE
Official standardized name for this substance within the FDA UNII nomenclature system.
InChIKey
C8H10N4O2
International Chemical Identifier digital signature for unique molecular identification.
SMILES String
LPHGQDQBBGAPDZ-UHFFFAOYSA-N
Line notation for describing the chemical structure and connectivity of atoms.
PubChem CID
Unique identification number in the NCBI database of chemical substances.
Substance Type
chemical
ISO 11238 classification category (e.g., Chemical, Polymer, Protein).
Ingredient Role
c1(=O)n(c(c2ncn(c2n1C)C)=O)C

Synonyms and Nomenclature

This section provides a complete list of nomenclature and identifier mappings for Isocaffeine. Identifiers are organized into official regulatory terms, commercial trade names, and technical systematic synonyms used to ensure accurate identification across clinical pharmaceutical databases, regulatory filings, and electronic health records.

Common Names & Synonyms

CAFFEINE IMPURITY C [EP IMPURITY]
CAFFEINE MONOHYDRATE IMPURITY C [EP IMPURITY]
ISOCAFFEINE

Systematic Nomenclature

1,3,9-TRIMETHYL-3,9-DIHYDRO-1H-PURINE-2,6-DIONE
1,3,9-TRIMETHYLXANTHINE
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3,9-TRIMETHYL-
3,9-DIHYDRO-1,3,9-TRIMETHYL-1H-PURINE-2,6-DIONE
9-METHYLTHEOPHYLLINE

Technical Codes

NSC-28332