Chemical identity

Emtricitabine Carboxylic Acid Impurity / Emtricitabine IP Impurity A

CAS 1238210-10-0 · C8H8FN3O4S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-14013
PubChem CID56637813
NameEmtricitabine Carboxylic Acid Impurity / Emtricitabine IP Impurity A
CAS RN1238210-10-0
Molecular formulaC8H8FN3O4S
Molecular weight261.23 g/mol
IUPAC name5-(4-Amino-5-Fluoro-2-oxo-2H-pyrimidin-1-yl)-[1,3]-oxathiolane-2-carboxylic acid
InChIKeyGQHACZWRCOKKIZ-MHTLYPKNSA-N

02Structure identifiers

2D structurePubChem CID 56637813
Two-dimensional chemical structure of Emtricitabine Carboxylic Acid Impurity / Emtricitabine IP Impurity A, CAS 1238210-10-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1[C@H](O[C@H](S1)C(=O)O)N2C=C(C(=NC2=O)N)F
InChINot listed
Formula from structureC8H8FN3O4S
Molecular weight from structure261.23 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1238210-10-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1238210-10-0 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Emtricitabine

View API and impurity family

Other names

  • Emtricitabine Carboxylic Acid Impurity
  • Emtricitabine IP Impurity A
  • (2R, 5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1, 3-oxathiolane-2-carboxylic Acid
  • Emtricitabine carboxylic acid
  • 1238210-10-0
  • Emtrictiabine impurity A [WHO-IP]
  • 61557K3S8B
  • UNII-61557K3S8B
  • 1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-, (2R,5S)-
  • (2RS,5SR)-5-(4-AMINO-5-FLUORO-2-OXOPYRIMIDIN-1(2H)-YL)-1,3-OXATHIOLAN-2-CARBOXYLIC ACID
  • RefChem:200774
  • EMTRICTIABINE IMPURITY A

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources