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Substance Name: Cefoperazone A
RN: 73240-07-0
InChIKey: INTHBPQCBGDFRH-VWDLYUFVSA-N

Note

  • Metabolite of cefoperazone.

Molecular Formula

  • C25-H29-N9-O9-S2

Molecular Weight

  • 663.6901
 
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Names and Synonyms

Name of Substance

  • Cefoperazone A

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((((2-((carboxycarbonyl)ethylamino)ethyl)amino)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(R*)))-

Registry Numbers

CAS Registry Number

  • 73240-07-0

System Generated Number

  • 0073240070

Structure Descriptors

InChI

1S/C25H29N9O9S2/c1-3-33(20(38)23(41)42)9-8-26-24(43)28-15(12-4-6-14(35)7-5-12)18(36)27-16-19(37)34-17(22(39)40)13(10-44-21(16)34)11-45-25-29-30-31-32(25)2/h4-7,15-16,21,35H,3,8-11H2,1-2H3,(H,27,36)(H,39,40)(H,41,42)(H2,26,28,43)/t15?,16-,21-/m1/s1

InChIKey

INTHBPQCBGDFRH-VWDLYUFVSA-N

Smiles

CCN(CCNC(=O)NC(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C)c4ccc(O)cc4)C(=O)C(=O)O