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

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 08:03:00 GMT 2025` Edited by `admin` on `Wed Apr 02 08:03:00 GMT 2025`
Record UNII	E3CEZ64VR2
Record Status	`Validated (UNII)`
Record Version

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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

Preferred Name

English

Code System Code Type Description

PUBCHEM

156596443

Created by admin on Wed Apr 02 08:03:00 GMT 2025 , Edited by admin on Wed Apr 02 08:03:00 GMT 2025

PRIMARY

FDA UNII

E3CEZ64VR2

Created by admin on Wed Apr 02 08:03:00 GMT 2025 , Edited by admin on Wed Apr 02 08:03:00 GMT 2025

PRIMARY

CAS

757211-28-2

Created by admin on Wed Apr 02 08:03:00 GMT 2025 , Edited by admin on Wed Apr 02 08:03:00 GMT 2025

PRIMARY

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CAPRAVIRINE

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Qualification:

FECAL; URINE

Amount: