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Substance Name: Cephalosporin mustard
RN: 139914-00-4
InChIKey: YPVMPWUFEGUJOE-RCZVLFRGSA-N

Note

  • An anticancer prodrug activated by beta-lactamase.

Molecular Formula

  • C27-H28-Cl2-N4-O6-S

Molecular Weight

  • 607.5122
 
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Names and Synonyms

Name of Substance

  • Cephalosporin mustard

Synonym

  • 7-(Phenylacetamido)cephalosporin mustard

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((((4-(bis(2-chloroethyl)amino)phenyl)amino)carbonyl)oxy)methyl)-8-oxo-7-((phenylacetyl)amino)-, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 139914-00-4

System Generated Number

  • 0139914004

Structure Descriptors

InChI

1S/C27H28Cl2N4O6S/c28-10-12-32(13-11-29)20-8-6-19(7-9-20)30-27(38)39-15-18-16-40-25-22(24(35)33(25)23(18)26(36)37)31-21(34)14-17-4-2-1-3-5-17/h1-9,22,25H,10-16H2,(H,30,38)(H,31,34)(H,36,37)/t22-,25-/m1/s1

InChIKey

YPVMPWUFEGUJOE-RCZVLFRGSA-N

Smiles

OC(=O)C1=C(COC(=O)Nc2ccc(cc2)N(CCCl)CCCl)CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N13