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

Details

Stereochemistry RACEMIC
Molecular Formula C20H20Cl2N4O3S
Molecular Weight 467.369
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[(Aminocarbonyl)oxy]methyl]-5-[(3,5-dichlorophenyl)thio]-?-methyl-1-(4-pyridinylmethyl)-1H-imidazole-4-ethanol

SMILES

CC(CO)C1=C(SC2=CC(Cl)=CC(Cl)=C2)N(CC3=CC=NC=C3)C(COC(N)=O)=N1

InChI

InChIKey=BVCRLAKVGCQOTH-UHFFFAOYSA-N
InChI=1S/C20H20Cl2N4O3S/c1-12(10-27)18-19(30-16-7-14(21)6-15(22)8-16)26(9-13-2-4-24-5-3-13)17(25-18)11-29-20(23)28/h2-8,12,27H,9-11H2,1H3,(H2,23,28)

HIDE SMILES / InChI

Molecular Formula C20H20Cl2N4O3S
Molecular Weight 467.369
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:05:18 GMT 2025
Edited
by admin
on Wed Apr 02 07:05:18 GMT 2025
Record UNII
V8IWX8PL40
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[(Aminocarbonyl)oxy]methyl]-5-[(3,5-dichlorophenyl)thio]-?-methyl-1-(4-pyridinylmethyl)-1H-imidazole-4-ethanol
Systematic Name English
Capravirine metabolite C20/M5
Preferred Name English
1H-Imidazole-4-ethanol, 2-[[(aminocarbonyl)oxy]methyl]-5-[(3,5-dichlorophenyl)thio]-?-methyl-1-(4-pyridinylmethyl)-
Systematic Name English
Code System Code Type Description
CAS
757211-48-6
Created by admin on Wed Apr 02 07:05:18 GMT 2025 , Edited by admin on Wed Apr 02 07:05:18 GMT 2025
PRIMARY
FDA UNII
V8IWX8PL40
Created by admin on Wed Apr 02 07:05:18 GMT 2025 , Edited by admin on Wed Apr 02 07:05:18 GMT 2025
PRIMARY
PUBCHEM
11655705
Created by admin on Wed Apr 02 07:05:18 GMT 2025 , Edited by admin on Wed Apr 02 07:05:18 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; URINE
PARENT -> METABOLITE
MAJOR
PLASMA