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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 (6R,7S)-CEFOPERAZONE

SMILES

[H][C@]12SCC(CSC3=NN=NN3C)=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=GCFBRXLSHGKWDP-ZMPRRUGASA-N
InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)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(10-43-22(16)34)11-44-25-28-29-30-31(25)2/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

Molecular Formula C25H27N9O8S2
Molecular Weight 645.667
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:55:52 GMT 2023
Edited
by admin
on Sat Dec 16 18:55:52 GMT 2023
Record UNII
988VQV27Q4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6R,7S)-CEFOPERAZONE
Common Name English
CEFOPERAZONE SODIUM IMPURITY F [EP IMPURITY]
Common Name English
(6R,7S)-7-(((2R)-2-(((4-ETHYL-2,3-DIOXOPIPERAZINE-1-YL)CARBONYL)AMINO)-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-3-(((1-METHYL-1H-TETRAZOL-5-YL)SULFANYL)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
(6R,7S)-7-(((2R)-2-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2R)-2-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, (6R,7S)-
Systematic Name English
Code System Code Type Description
CAS
1315481-36-7
Created by admin on Sat Dec 16 18:55:53 GMT 2023 , Edited by admin on Sat Dec 16 18:55:53 GMT 2023
PRIMARY
PUBCHEM
7048630
Created by admin on Sat Dec 16 18:55:53 GMT 2023 , Edited by admin on Sat Dec 16 18:55:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID40427575
Created by admin on Sat Dec 16 18:55:53 GMT 2023 , Edited by admin on Sat Dec 16 18:55:53 GMT 2023
PRIMARY
FDA UNII
988VQV27Q4
Created by admin on Sat Dec 16 18:55:53 GMT 2023 , Edited by admin on Sat Dec 16 18:55:53 GMT 2023
PRIMARY
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