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Substance Name: Chlorambucil-oleic acid conjugate
RN: 130676-88-9
InChIKey: JURXPCSUZDDGRL-KTKRTIGZSA-N

Molecular Formula

  • C34-H55-Cl2-N-O4

Molecular Weight

  • 612.718
 
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Names and Synonyms

Name of Substance

  • Chlorambucil-oleic acid conjugate

Synonym

  • COAC

Systematic Name

  • Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-, 2-((1-oxo-9-octadecenyl)oxy)ethyl ester, (Z)-

Registry Numbers

CAS Registry Number

  • 130676-88-9

System Generated Number

  • 0130676889

Structure Descriptors

InChI

1S/C34H55Cl2NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33(38)40-29-30-41-34(39)20-17-18-31-21-23-32(24-22-31)37(27-25-35)28-26-36/h9-10,21-24H,2-8,11-20,25-30H2,1H3/b10-9-

InChIKey

JURXPCSUZDDGRL-KTKRTIGZSA-N

Smiles

c1(ccc(CCCC(OCCOC(=O)CCCCCCC\C=C/CCCCCCCC)=O)cc1)N(CCCl)CCCl