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Substance Name: Benzoic acid, 2,4-dichloro-, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride
RN: 119584-94-0
InChIKey: QDGFUOHFHDHMSN-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

Synonyms

  • 2-(3,4-Dichlorophenyl)-4-hexamethyleneiminobutyl 2,4-dichlorobenzoate hydrochloride
  • SR 44102 A

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119584-94-0

System Generated Number

  • 0119584940

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

InChIKey

QDGFUOHFHDHMSN-UHFFFAOYSA-N

Smiles

c1cc(c(cc1C(CCN2CCCCCC2)COC(=O)c3ccc(cc3Cl)Cl)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,