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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H8FN3O4S
Molecular Weight 261.2316
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMTRICITABINE CARBOXYLIC ACID

SMILES

c1c(c(=N)nc(n1[C@]2([H])CS[C@]([H])(C(=O)O)O2)O)F

InChI

InChIKey=GQHACZWRCOKKIZ-MHTLYPKNSA-N
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

HIDE SMILES / InChI

Molecular Formula C8H8FN3O4S
Molecular Weight 261.2316
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:32:11 UTC 2021
Edited
by admin
on Sat Jun 26 12:32:11 UTC 2021
Record UNII
61557K3S8B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMTRICITABINE CARBOXYLIC ACID
Common Name English
EMTRICTIABINE IMPURITY A [WHO-IP]
Common Name English
1,3-OXATHIOLANE-2-CARBOXYLIC ACID, 5-(4-AMINO-5-FLUORO-2-OXO-1(2H)-PYRIMIDINYL)-, (2R,5S)-
Common Name English
(2RS,5SR)-5-(4-AMINO-5-FLUORO-2-OXOPYRIMIDIN-1(2H)-YL)-1,3-OXATHIOLAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
61557K3S8B
Created by admin on Sat Jun 26 12:32:12 UTC 2021 , Edited by admin on Sat Jun 26 12:32:12 UTC 2021
PRIMARY
PUBCHEM
56637813
Created by admin on Sat Jun 26 12:32:12 UTC 2021 , Edited by admin on Sat Jun 26 12:32:12 UTC 2021
PRIMARY
CAS
1238210-10-0
Created by admin on Sat Jun 26 12:32:12 UTC 2021 , Edited by admin on Sat Jun 26 12:32:12 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY