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Substance Name: Benzoic acid, 2,4-dichloro-, 2-(4-bromophenyl)-8-(dimethylamino)octyl ester, hydrochloride
RN: 119585-27-2
InChIKey: QTTHICRCKNYDHR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-Br-Cl2-N-O2.Cl-H

Molecular Weight

  • 537.7501
 
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Names and Synonyms

Synonyms

  • 2-(4-Bromophenyl)-8-(dimethylamino)octyl 2,4-dichlorobenzoate hydrochloride
  • SR 45031 A

Systematic Name

  • Benzoic acid, 2,4-dichloro-, 2-(4-bromophenyl)-8-(dimethylamino)octyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 119585-27-2

System Generated Number

  • 0119585272

Molecular Formulas

Molecular Formula

  • C23-H28-Br-Cl2-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H28-Br-Cl2-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28BrCl2NO2.ClH/c1-27(2)14-6-4-3-5-7-18(17-8-10-19(24)11-9-17)16-29-23(28)21-13-12-20(25)15-22(21)26;/h8-13,15,18H,3-7,14,16H2,1-2H3;1H

InChIKey

QTTHICRCKNYDHR-UHFFFAOYSA-N

Smiles

CN(C)CCCCCCC(COC(=O)c1ccc(cc1Cl)Cl)c2ccc(cc2)Br.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,