U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H11FN2O4S
Molecular Weight 262.258
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMTRICITABINE S-OXIDE (S)-EPIMER

SMILES

CC1=NC(=O)N(C=C1F)[C@@H]2C[S@+]([O-])[C@H](CO)O2

InChI

InChIKey=IYGHIMIHEKBETI-VBTAIFHRSA-N
InChI=1S/C9H11FN2O4S/c1-5-6(10)2-12(9(14)11-5)7-4-17(15)8(3-13)16-7/h2,7-8,13H,3-4H2,1H3/t7-,8+,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H11FN2O4S
Molecular Weight 262.258
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:40:35 GMT 2025
Edited
by admin
on Mon Mar 31 23:40:35 GMT 2025
Record UNII
LXO1HF9QGI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMTRICITABINE S-OXIDE (S)-EPIMER
Common Name English
EMTRICITABINE IMPURITY G [WHO-IP]
Preferred Name English
4-AMINO-5-FLUORO-1-((2R,3S,5S)-2-(HYDROXYMETHYL)-3-OXO-1,3-OXA-.LAMBDA.4-THIOLAN-5-YL)PYRIMIDIN-2(1H)-ONE [WHO-IP]
Systematic Name English
Code System Code Type Description
FDA UNII
LXO1HF9QGI
Created by admin on Mon Mar 31 23:40:35 GMT 2025 , Edited by admin on Mon Mar 31 23:40:35 GMT 2025
PRIMARY
PUBCHEM
154585008
Created by admin on Mon Mar 31 23:40:35 GMT 2025 , Edited by admin on Mon Mar 31 23:40:35 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY