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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 5-((3,5-DICHLOROPHENYL)SULFINYL)-4-(1-METHYLETHYL)-1-(4-PYRIDINYLMETHYL)-1H-IMIDAZOLE-2-METHANOL 2-CARBAMATE

SMILES

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

InChI

InChIKey=OUBYDMXMRRNJEJ-UHFFFAOYSA-N
InChI=1S/C20H20Cl2N4O3S/c1-12(2)18-19(30(28)16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-29-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)

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 Sat Dec 16 16:04:34 GMT 2023
Edited
by admin
on Sat Dec 16 16:04:34 GMT 2023
Record UNII
7U2NH9TAP8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((3,5-DICHLOROPHENYL)SULFINYL)-4-(1-METHYLETHYL)-1-(4-PYRIDINYLMETHYL)-1H-IMIDAZOLE-2-METHANOL 2-CARBAMATE
Systematic Name English
CAPRAVIRINE METABOLITE C23/M3
Common Name English
1H-IMIDAZOLE-2-METHANOL, 5-((3,5-DICHLOROPHENYL)SULFINYL)-4-(1-METHYLETHYL)-1-(4-PYRIDINYLMETHYL)-, 2-CARBAMATE
Systematic Name English
Code System Code Type Description
CAS
216316-63-1
Created by admin on Sat Dec 16 16:04:35 GMT 2023 , Edited by admin on Sat Dec 16 16:04:35 GMT 2023
PRIMARY
FDA UNII
7U2NH9TAP8
Created by admin on Sat Dec 16 16:04:35 GMT 2023 , Edited by admin on Sat Dec 16 16:04:35 GMT 2023
PRIMARY
PUBCHEM
471355
Created by admin on Sat Dec 16 16:04:35 GMT 2023 , Edited by admin on Sat Dec 16 16:04:35 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA; URINE