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

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H20Cl2N4O5S
Molecular Weight	499.368
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-((1-OXIDO-4-PYRIDINYL)METHYL)-, 2-CARBAMATE

Structure Search

SMILES

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

InChI

InChIKey=QPFVCMYUVUKGCH-UHFFFAOYSA-N

InChI=1S/C20H20Cl2N4O5S/c1-20(2,28)17-18(32(30)15-8-13(21)7-14(22)9-15)26(16(24-17)11-31-19(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	C20H20Cl2N4O5S
Molecular Weight	499.368
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 07:09:45 GMT 2025` Edited by `admin` on `Wed Apr 02 07:09:45 GMT 2025`
Record UNII	BV53MR8T4W
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-((1-OXIDO-4-PYRIDINYL)METHYL)-, 2-CARBAMATE

Systematic Name

English

CAPRAVIRINE METABOLITE C4

Preferred Name

English

Code System Code Type Description

CAS

757211-23-7

Created by admin on Wed Apr 02 07:09:45 GMT 2025 , Edited by admin on Wed Apr 02 07:09:45 GMT 2025

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PUBCHEM

156028126

Created by admin on Wed Apr 02 07:09:45 GMT 2025 , Edited by admin on Wed Apr 02 07:09:45 GMT 2025

PRIMARY

FDA UNII

BV53MR8T4W

Created by admin on Wed Apr 02 07:09:45 GMT 2025 , Edited by admin on Wed Apr 02 07:09:45 GMT 2025

PRIMARY

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