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Substance Name: Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride
RN: 119585-14-7
InChIKey: FEWGJZGXVAXRTC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H33-Cl2-N-O2.Cl-H

Molecular Weight

  • 462.8856
 
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Names and Synonyms

Synonym

  • SR 44433 A

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119585-14-7

System Generated Number

  • 0119585147

Molecular Formulas

Molecular Formula

  • C23-H33-Cl2-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H33-Cl2-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H33Cl2NO2.ClH/c24-21-11-10-19(16-22(21)25)20(12-15-26-13-6-1-2-7-14-26)17-28-23(27)18-8-4-3-5-9-18;/h10-11,16,18,20H,1-9,12-15,17H2;1H

InChIKey

FEWGJZGXVAXRTC-UHFFFAOYSA-N

Smiles

c1cc(c(cc1C(CCN2CCCCCC2)COC(=O)C3CCCCC3)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,