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Substance Name: Benzoic acid, 4-chloro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride
RN: 119584-99-5
InChIKey: WRUHPLVVSDZUFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-Cl3-N-O2.Cl-H

Molecular Weight

  • 491.2833
 
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Names and Synonyms

Synonym

  • SR 44100 A

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119584-99-5

System Generated Number

  • 0119584995

Molecular Formulas

Molecular Formula

  • C23-H26-Cl3-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H26-Cl3-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26Cl3NO2.ClH/c24-19-7-5-17(6-8-19)23(28)29-16-18(21-10-9-20(25)15-22(21)26)11-14-27-12-3-1-2-4-13-27;/h5-10,15,18H,1-4,11-14,16H2;1H

InChIKey

WRUHPLVVSDZUFN-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)OCC(CCN2CCCCCC2)c3ccc(cc3Cl)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,