5-((3,5-DICHLOROPHENYL)THIO)-.ALPHA.4,.ALPHA.4-DIMETHYL-1-(4-PYRIDINYLMETHYL)-1H-IMIDAZOLE-2,4-DIMETHANOL 2-CARBAMATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H20Cl2N4O3S
Molecular Weight	467.369
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-((3,5-DICHLOROPHENYL)THIO)-.ALPHA.4,.ALPHA.4-DIMETHYL-1-(4-PYRIDINYLMETHYL)-1H-IMIDAZOLE-2,4-DIMETHANOL 2-CARBAMATE

Structure Search

SMILES

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

InChI

InChIKey=PUDLXICQSAQSLL-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C20H20Cl2N4O3S
Molecular Weight	467.369
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:04:12 GMT 2025` Edited by `admin` on `Wed Apr 02 07:04:12 GMT 2025`
Record UNII	ECG1QCI7DB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CAPRAVIRINE METABOLITE C19/M4

Preferred Name

English

5-((3,5-DICHLOROPHENYL)THIO)-.ALPHA.4,.ALPHA.4-DIMETHYL-1-(4-PYRIDINYLMETHYL)-1H-IMIDAZOLE-2,4-DIMETHANOL 2-CARBAMATE

Systematic Name

English

1H-IMIDAZOLE-2,4-DIMETHANOL, 5-((3,5-DICHLOROPHENYL)THIO)-.ALPHA.4,.ALPHA.4-DIMETHYL-1-(4-PYRIDINYLMETHYL)-, 2-CARBAMATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

11488158

Created by admin on Wed Apr 02 07:04:12 GMT 2025 , Edited by admin on Wed Apr 02 07:04:12 GMT 2025

PRIMARY

CAS

757211-45-3

Created by admin on Wed Apr 02 07:04:12 GMT 2025 , Edited by admin on Wed Apr 02 07:04:12 GMT 2025

PRIMARY

FDA UNII

ECG1QCI7DB

Created by admin on Wed Apr 02 07:04:12 GMT 2025 , Edited by admin on Wed Apr 02 07:04:12 GMT 2025

PRIMARY

Related Record Type Details


					VHC779598X

CAPRAVIRINE

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:


					VHC779598X

CAPRAVIRINE

PARENT -> METABOLITE

Qualification:

FECAL; URINE