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Substance Name: 7-(4-Carboxybutanamido)cephalosporin mustard
RN: 142478-50-0
InChIKey: ZOYULASXKQQRQK-DENIHFKCSA-N

Molecular Formula

  • C24-H28-Cl2-N4-O8-S

Molecular Weight

  • 603.4772
 
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Names and Synonyms

Name of Substance

  • 7-(4-Carboxybutanamido)cephalosporin mustard

Synonyms

  • (6R-trans)-3-(((((4-(Bis(2-chloroethyl)amino)phenyl)amino)carbonyl)oxy)methyl)-7-((4-carboxy-1-oxobutyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • 3-(((((4-(Bis(2-chloroethyl)amino)phenyl)amino)carbonyl)oxy)methyl)-7-((4-carboxy-1-oxobutyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R-trans)-
  • 7-Cbnceph 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)-7-((4-carboxy-1-oxobutyl)amino)-8-oxo-, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 142478-50-0

System Generated Number

  • 0142478500

Structure Descriptors

InChI

1S/C24H28Cl2N4O8S/c25-8-10-29(11-9-26)16-6-4-15(5-7-16)27-24(37)38-12-14-13-39-22-19(21(34)30(22)20(14)23(35)36)28-17(31)2-1-3-18(32)33/h4-7,19,22H,1-3,8-13H2,(H,27,37)(H,28,31)(H,32,33)(H,35,36)/t19-,22-/m1/s1

InChIKey

ZOYULASXKQQRQK-DENIHFKCSA-N

Smiles

OC(=O)CCCC(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)Nc3ccc(cc3)N(CCCl)CCCl