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

Structure Search

SMILES

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

InChI

InChIKey=LENWSJTYMYQSKU-UHFFFAOYSA-N

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

Systematic Name

English

CAPRAVIRINE METABOLITE C9/M7

Common Name

English

Code System Code Type Description

PUBCHEM

156596443

Created by admin on Sat Dec 16 16:34:39 GMT 2023 , Edited by admin on Sat Dec 16 16:34:39 GMT 2023

PRIMARY

FDA UNII

E3CEZ64VR2

Created by admin on Sat Dec 16 16:34:39 GMT 2023 , Edited by admin on Sat Dec 16 16:34:39 GMT 2023

PRIMARY

CAS

757211-28-2

Created by admin on Sat Dec 16 16:34:39 GMT 2023 , Edited by admin on Sat Dec 16 16:34:39 GMT 2023

PRIMARY

PARENT (METABOLITE)


					VHC779598X

CAPRAVIRINE

SUBSTANCE RECORD


					E3CEZ64VR2

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