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

Details

Stereochemistry EPIMERIC
Molecular Formula C8H10FN3O4S
Molecular Weight 263.246
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMTRICITABINE SULFOXIDE

SMILES

NC1=NC(=O)N(C=C1F)[C@@H]2C[S+]([O-])[C@H](CO)O2

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

Approval Year

Unknown
139594
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 Dec 16 09:45:10 GMT 2023 , Edited by admin on Sat Dec 16 09:45:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID90747694
Created by admin on Sat Dec 16 09:45:10 GMT 2023 , Edited by admin on Sat Dec 16 09:45:10 GMT 2023
PRIMARY
CAS
152128-77-3
Created by admin on Sat Dec 16 09:45:10 GMT 2023 , Edited by admin on Sat Dec 16 09:45:10 GMT 2023
PRIMARY
FDA UNII
Y00K47B026
Created by admin on Sat Dec 16 09:45:10 GMT 2023 , Edited by admin on Sat Dec 16 09:45:10 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of EMTRICITABINE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966