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Substance Name: Benzoic acid, 2,4-dichloro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride
RN: 119584-98-4
InChIKey: OGPXHINOGMFDLA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-Cl4-N-O2.Cl-H

Molecular Weight

  • 525.7284
 
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Names and Synonyms

Synonym

  • SR 44099 A

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119584-98-4

System Generated Number

  • 0119584984

Molecular Formulas

Molecular Formula

  • C23-H25-Cl4-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H25-Cl4-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25Cl4NO2.ClH/c24-17-5-7-19(21(26)13-17)16(9-12-28-10-3-1-2-4-11-28)15-30-23(29)20-8-6-18(25)14-22(20)27;/h5-8,13-14,16H,1-4,9-12,15H2;1H

InChIKey

OGPXHINOGMFDLA-UHFFFAOYSA-N

Smiles

c1cc(c(cc1Cl)Cl)C(CCN2CCCCCC2)COC(=O)c3ccc(cc3Cl)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,