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Substance Name: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride
RN: 134871-18-4
InChIKey: WXDUKTYVYXRHBW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-Br2-N-O3.Cl-H

Molecular Weight

  • 561.7392
 
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Names and Synonyms

  • Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 134871-18-4

System Generated Number

  • 0134871184

Molecular Formulas

Molecular Formula

  • C23-H27-Br2-N-O3.Cl-H

Molecular Formula Fragments

  • C23-H27-Br2-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27Br2NO3.ClH/c24-20-10-6-18(7-11-20)23(28,19-8-12-21(25)13-9-19)22(27)29-17-5-16-26-14-3-1-2-4-15-26;/h6-13,28H,1-5,14-17H2;1H

InChIKey

WXDUKTYVYXRHBW-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(c2ccc(cc2)Br)(C(=O)OCCCN3CCCCCC3)O)Br.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 130mg/kg (130mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 251, 1991.