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

Details

Stereochemistry RACEMIC
Molecular Formula C20H20Cl2N4O5S
Molecular Weight 499.368
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-IMIDAZOLE-2,4-DIMETHANOL, 5-((3,5-DICHLOROPHENYL)SULFINYL)-.ALPHA.4,.ALPHA.4-DIMETHYL-1-((1-OXIDO-4-PYRIDINYL)METHYL)-, 2-CARBAMATE

SMILES

CC(C)(O)C1=C(N(CC2=CC=[N+]([O-])C=C2)C(COC(N)=O)=N1)[S+]([O-])C3=CC(Cl)=CC(Cl)=C3

InChI

InChIKey=QPFVCMYUVUKGCH-UHFFFAOYSA-N
InChI=1S/C20H20Cl2N4O5S/c1-20(2,28)17-18(32(30)15-8-13(21)7-14(22)9-15)26(16(24-17)11-31-19(23)27)10-12-3-5-25(29)6-4-12/h3-9,28H,10-11H2,1-2H3,(H2,23,27)

HIDE SMILES / InChI

Approval Year

Name Type Language
1H-IMIDAZOLE-2,4-DIMETHANOL, 5-((3,5-DICHLOROPHENYL)SULFINYL)-.ALPHA.4,.ALPHA.4-DIMETHYL-1-((1-OXIDO-4-PYRIDINYL)METHYL)-, 2-CARBAMATE
Systematic Name English
CAPRAVIRINE METABOLITE C4
Common Name English
Code System Code Type Description
CAS
757211-23-7
Created by admin on Sat Dec 16 16:08:03 GMT 2023 , Edited by admin on Sat Dec 16 16:08:03 GMT 2023
PRIMARY
PUBCHEM
156028126
Created by admin on Sat Dec 16 16:08:03 GMT 2023 , Edited by admin on Sat Dec 16 16:08:03 GMT 2023
PRIMARY
FDA UNII
BV53MR8T4W
Created by admin on Sat Dec 16 16:08:03 GMT 2023 , Edited by admin on Sat Dec 16 16:08:03 GMT 2023
PRIMARY