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Substance Name: Chlorambucil-arachidonic acid conjugate
RN: 130676-89-0
InChIKey: VUFNLQXQSDUXKB-DOFZRALJSA-N

Molecular Formula

  • C36-H53-Cl2-N-O4

Molecular Weight

  • 634.724
 
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Names and Synonyms

Name of Substance

  • Chlorambucil-arachidonic acid conjugate

Synonym

  • CAAC

Systematic Name

  • Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-, 2-((1-oxo-5,8,11,14-eicosatetraenyl)oxy)ethyl ester, (all-Z)-

Registry Numbers

CAS Registry Number

  • 130676-89-0

System Generated Number

  • 0130676890

Structure Descriptors

InChI

1S/C36H53Cl2NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35(40)42-31-32-43-36(41)22-19-20-33-23-25-34(26-24-33)39(29-27-37)30-28-38/h6-7,9-10,12-13,15-16,23-26H,2-5,8,11,14,17-22,27-32H2,1H3/b7-6-,10-9-,13-12-,16-15-

InChIKey

VUFNLQXQSDUXKB-DOFZRALJSA-N

Smiles

c1(ccc(CCCC(OCCOC(CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)=O)=O)cc1)N(CCCl)CCCl