5-DESTHIOLYL-5-THIOXO CEFOPERAZONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H27N9O8S2
Molecular Weight	645.667
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-DESTHIOLYL-5-THIOXO CEFOPERAZONE

Structure Search

SMILES

CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CN4N=NN(C)C4=S)=C(N3C2=O)C(O)=O)C5=CC=C(O)C=C5)C(=O)C1=O

InChI

InChIKey=LGKWYRNERXMLTN-XCGNWRKASA-N

InChI=1S/C25H27N9O8S2/c1-3-31-8-9-32(21(39)20(31)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(11-44-22(16)34)10-33-25(43)30(2)28-29-33/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

5-DESTHIOLYL-5-THIOXO CEFOPERAZONE

Common Name

English

CEFOPERAZONE SODIUM IMPURITY B [EP IMPURITY]

Preferred Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((4,5-DIHYDRO-4-METHYL-5-THIOXO-1H-TETRAZOL-1-YL)METHYL)-7-(((2R)-2-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-8-OXO-, (6R,7R)-

Systematic Name

English

(6R,7R)-3-((4,5-DIHYDRO-4-METHYL-5-THIOXO-1H-TETRAZOL-1-YL)METHYL)-7-(((2R)-2-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30747577

Created by admin on Wed Apr 02 11:22:41 GMT 2025 , Edited by admin on Wed Apr 02 11:22:41 GMT 2025

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PUBCHEM

71315826

Created by admin on Wed Apr 02 11:22:41 GMT 2025 , Edited by admin on Wed Apr 02 11:22:41 GMT 2025

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CAS

711598-76-4

Created by admin on Wed Apr 02 11:22:41 GMT 2025 , Edited by admin on Wed Apr 02 11:22:41 GMT 2025

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FDA UNII

WN35C7MDY7

Created by admin on Wed Apr 02 11:22:41 GMT 2025 , Edited by admin on Wed Apr 02 11:22:41 GMT 2025

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SUBSTANCE RECORD


					WN35C7MDY7

5-DESTHIOLYL-5-THIOXO CEFOPERAZONE