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Substance Name: 5-Hexenoic acid, 6-(4-(2-(((4-chlorophenyl)sulfonyl)amino)ethyl)phenyl)-6-(3-pyridinyl)-, compd. with cyclohexanamine (2:1)
RN: 133276-53-6
InChIKey: GCPNGFCWFJEPEO-WTJXDLAJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C50-H50-Cl2-N4-O8-S2.C6-H13-N

Molecular Weight

  • 1069.1787
 
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Names and Synonyms

  • 5-Hexenoic acid, 6-(4-(2-(((4-chlorophenyl)sulfonyl)amino)ethyl)phenyl)-6-(3-pyridinyl)-, compd. with cyclohexanamine (2:1)

Registry Numbers

CAS Registry Number

  • 133276-53-6

System Generated Number

  • 0133276536

Molecular Formulas

Molecular Formula

  • C50-H50-Cl2-N4-O8-S2.C6-H13-N

Molecular Formula Fragments

  • C50-H50-Cl2-N4-O8-S2
  • C6-H13-N
  • COMPONENT

Structure Descriptors

InChI

1S/2C25H25ClN2O4S.C6H13N/c2*26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21;7-6-4-2-1-3-5-6/h2*3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30);6H,1-5,7H2/b2*24-5+;

InChIKey

GCPNGFCWFJEPEO-WTJXDLAJSA-N

Smiles

c1cncc(c1)/C(=C/CCCC(=O)O)/c2ccc(cc2)CCNS(=O)(=O)c3ccc(cc3)Cl.c1cncc(c1)/C(=C/CCCC(=O)O)/c2ccc(cc2)CCNS(=O)(=O)c3ccc(cc3)Cl.C1CCC(CC1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 250mg/kg (250mg/kg)   United States Patent Document. Vol. #5426119,