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Substance Name: Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride
RN: 119584-96-2
InChIKey: BQKDJIIZPKGZSW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H29-Cl2-N-O2.Cl-H

Molecular Weight

  • 506.898
 
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Names and Synonyms

Synonym

  • SR 44026 A

Systematic Name

  • Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 119584-96-2

System Generated Number

  • 0119584962

Molecular Formulas

Molecular Formula

  • C27-H29-Cl2-N-O2.Cl-H

Molecular Formula Fragments

  • C27-H29-Cl2-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29Cl2NO2.ClH/c28-24-11-12-25(26(29)18-24)27(31)32-19-23(13-16-30-14-5-1-2-6-15-30)22-10-9-20-7-3-4-8-21(20)17-22;/h3-4,7-12,17-18,23H,1-2,5-6,13-16,19H2;1H

InChIKey

BQKDJIIZPKGZSW-UHFFFAOYSA-N

Smiles

c1ccc2cc(ccc2c1)C(CCN3CCCCCC3)COC(=O)c4ccc(cc4Cl)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,