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Substance Name: 2-Propenoic acid, 3-(2,4-dichlorophenyl)-, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride
RN: 119585-13-6
InChIKey: FYBWMLOJCKBOSD-HCUGZAAXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-Cl4-N-O2.Cl-H

Molecular Weight

  • 551.7662
 
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Names and Synonyms

Synonym

  • SR 44431 A

Systematic Name

  • 2-Propenoic acid, 3-(2,4-dichlorophenyl)-, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 119585-13-6

System Generated Number

  • 0119585136

Molecular Formulas

Molecular Formula

  • C25-H27-Cl4-N-O2.Cl-H

Molecular Formula Fragments

  • C25-H27-Cl4-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H27Cl4NO2.ClH/c26-21-8-5-18(23(28)16-21)7-10-25(31)32-17-20(19-6-9-22(27)24(29)15-19)11-14-30-12-3-1-2-4-13-30;/h5-10,15-16,20H,1-4,11-14,17H2;1H/b10-7+;

InChIKey

FYBWMLOJCKBOSD-HCUGZAAXSA-N

Smiles

c1cc(c(cc1C(CCN2CCCCCC2)COC(=O)/C=C/c3ccc(cc3Cl)Cl)Cl)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5089251,