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Substance Name: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(1-pyrrolidinyl)propyl ester, hydrochloride
RN: 134871-12-8
InChIKey: HXGWSJVIBFSANJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Br2-N-O3.Cl-H

Molecular Weight

  • 533.6856
 
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Names and Synonyms

Synonym

  • 3-Pyrrolidinopropyl 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxybenzeneacetate hydrochloride

Systematic Name

  • Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(1-pyrrolidinyl)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 134871-12-8

System Generated Number

  • 0134871128

Molecular Formulas

Molecular Formula

  • C21-H23-Br2-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H23-Br2-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23Br2NO3.ClH/c22-18-8-4-16(5-9-18)21(26,17-6-10-19(23)11-7-17)20(25)27-15-3-14-24-12-1-2-13-24;/h4-11,26H,1-3,12-15H2;1H

InChIKey

HXGWSJVIBFSANJ-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(c2ccc(cc2)Br)(C(=O)OCCCN3CCCC3)O)Br.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 125mg/kg (125mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 251, 1991.