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

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H20Cl2N4O4S
Molecular Weight	483.368
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1H-IMIDAZOLE-2-METHANOL, 5-((3,5-DICHLOROPHENYL)SULFINYL)-4-(1-METHYLETHYL)-1-((1-OXIDO-4-PYRIDINYL)METHYL)-, 2-CARBAMATE

Structure Search

SMILES

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

InChI

InChIKey=YGRQRBLTARJOGX-UHFFFAOYSA-N

InChI=1S/C20H20Cl2N4O4S/c1-12(2)18-19(31(29)16-8-14(21)7-15(22)9-16)26(17(24-18)11-30-20(23)27)10-13-3-5-25(28)6-4-13/h3-9,12H,10-11H2,1-2H3,(H2,23,27)

HIDE SMILES / InChI

Molecular Formula	C20H20Cl2N4O4S
Molecular Weight	483.368
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 08:02:15 GMT 2025` Edited by `admin` on `Wed Apr 02 08:02:15 GMT 2025`
Record UNII	C06YW91KZ5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

Systematic Name

English

CAPRAVIRINE METABOLITE C15/M6

Preferred Name

English

Code System Code Type Description

FDA UNII

C06YW91KZ5

Created by admin on Wed Apr 02 08:02:15 GMT 2025 , Edited by admin on Wed Apr 02 08:02:15 GMT 2025

PRIMARY

PUBCHEM

59988959

Created by admin on Wed Apr 02 08:02:15 GMT 2025 , Edited by admin on Wed Apr 02 08:02:15 GMT 2025

PRIMARY

CAS

216316-65-3

Created by admin on Wed Apr 02 08:02:15 GMT 2025 , Edited by admin on Wed Apr 02 08:02:15 GMT 2025

PRIMARY

Related Record Type Details


					VHC779598X

CAPRAVIRINE

PARENT -> METABOLITE

Qualification:

URINE

Amount: