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Substance Name: Emtricitabine carboxylic acid
RN: 1238210-10-0
UNII: 61557K3S8B
InChIKey: GQHACZWRCOKKIZ-MHTLYPKNSA-N

Molecular Formula

  • C8-H8-F-N3-O4-S

Molecular Weight

  • 261.2322
 
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Names and Synonyms

Name of Substance

  • Emtricitabine carboxylic acid

Synonyms

  • 1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-, (2R,5S)-
  • Emtricitabine carboxylic acid
  • Emtrictiabine impurity A [WHO-IP]
  • UNII-61557K3S8B

Registry Numbers

CAS Registry Number

  • 1238210-10-0

FDA UNII

  • 61557K3S8B

System Generated Number

  • 1238210100

Structure Descriptors

InChI

1S/C8H8FN3O4S/c9-3-1-12(8(15)11-5(3)10)4-2-17-7(16-4)6(13)14/h1,4,7H,2H2,(H,13,14)(H2,10,11,15)/t4-,7+/m0/s1

InChIKey

GQHACZWRCOKKIZ-MHTLYPKNSA-N

Smiles

NC1=NC(=O)N(C=C1F)[C@@H]2CS[C@@H](O2)C(=O)O