U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula C8H10FN3O4S
Molecular Weight 263.2475
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMTRICITABINE SULFOXIDE

SMILES

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

InChI

InChIKey=DMOMZPWPIDCLMB-YGFFCSEESA-N
InChI=1S/C8H10FN3O4S/c9-4-1-12(8(14)11-7(4)10)5-3-17(15)6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+,17?/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H10FN3O4S
Molecular Weight 263.2475
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 14:09:28 UTC 2021
Edited
by admin
on Sat Jun 26 14:09:28 UTC 2021
Record UNII
Y00K47B026
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMTRICITABINE SULFOXIDE
Common Name English
2(1H)-PYRIMIDINONE, 4-AMINO-5-FLUORO-1-((2R,5S)-2-(HYDROXYMETHYL)-3-OXIDO-1,3-OXATHIOLAN-5-YL)-
Systematic Name English
2(1H)-PYRIMIDINONE, 4-AMINO-5-FLUORO-1-(2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL)-, S-OXIDE, (2R-(2.ALPHA.,5.ALPHA.))-
Systematic Name English
EMTRICITABINE S-OXIDE
Common Name English
Code System Code Type Description
PUBCHEM
10038386
Created by admin on Sat Jun 26 14:09:28 UTC 2021 , Edited by admin on Sat Jun 26 14:09:28 UTC 2021
PRIMARY
EPA CompTox
152128-77-3
Created by admin on Sat Jun 26 14:09:28 UTC 2021 , Edited by admin on Sat Jun 26 14:09:28 UTC 2021
PRIMARY
CAS
152128-77-3
Created by admin on Sat Jun 26 14:09:28 UTC 2021 , Edited by admin on Sat Jun 26 14:09:28 UTC 2021
PRIMARY
FDA UNII
Y00K47B026
Created by admin on Sat Jun 26 14:09:28 UTC 2021 , Edited by admin on Sat Jun 26 14:09:28 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
9% of dose
MAJOR
URINE