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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H20Cl2N4O4S
Molecular Weight	483.368
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CC(C)(O)C1=C(SC2=CC(Cl)=CC(Cl)=C2)N(CC3=CC=[N+]([O-])C=C3)C(COC(N)=O)=N1

InChI

InChIKey=KDVGKVCTHBGUDG-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C20H20Cl2N4O4S
Molecular Weight	483.368
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 08:02:15 GMT 2025` Edited by `admin` on `Wed Apr 02 08:02:15 GMT 2025`
Record UNII	EKR5H9BQ5Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CAPRAVIRINE METABOLITE C12

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

757211-34-0

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

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PUBCHEM

11511393

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

FDA UNII

EKR5H9BQ5Q

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

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CAPRAVIRINE

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Qualification:

FECAL; URINE

Amount: