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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

SMILES

[H][C@]12SCC(CN3N=NN(C)C3=S)=C(N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N4CCN(CC)C(=O)C4=O)C5=CC=C(O)C=C5)C(O)=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]
Common 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 Sat Dec 16 18:30:59 GMT 2023 , Edited by admin on Sat Dec 16 18:30:59 GMT 2023
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PUBCHEM
71315826
Created by admin on Sat Dec 16 18:30:59 GMT 2023 , Edited by admin on Sat Dec 16 18:30:59 GMT 2023
PRIMARY
CAS
711598-76-4
Created by admin on Sat Dec 16 18:30:59 GMT 2023 , Edited by admin on Sat Dec 16 18:30:59 GMT 2023
PRIMARY
FDA UNII
WN35C7MDY7
Created by admin on Sat Dec 16 18:30:59 GMT 2023 , Edited by admin on Sat Dec 16 18:30:59 GMT 2023
PRIMARY