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Substance Name: Cyclopentanone, 2-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, monohydrobromide
RN: 67931-91-3
InChIKey: SNLWOFUBMRSQIQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-F3-N2-O.Br-H

Molecular Weight

  • 407.2718
 
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Names and Synonyms

Synonyms

  • 2-((4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)methyl)cyclopentanone monohydrobromide
  • 2-(4-(m-Trifluoromethylphenyl)piperazino)methyl-cyclopentanone hydrobromide
  • LJ 1160

Systematic Name

  • Cyclopentanone, 2-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 67931-91-3

System Generated Number

  • 0067931913

Molecular Formulas

Molecular Formula

  • C17-H21-F3-N2-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C17-H21-F3-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21F3N2O.BrH/c18-17(19,20)14-4-2-5-15(11-14)22-9-7-21(8-10-22)12-13-3-1-6-16(13)23;/h2,4-5,11,13H,1,3,6-10,12H2;1H

InChIKey

SNLWOFUBMRSQIQ-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)N2CCN(CC2)CC3CCCC3=O)C(F)(F)F.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 74mg/kg (74mg/kg)   United States Patent Document. Vol. #4203986,
mouse LD50 oral 975mg/kg (975mg/kg)   United States Patent Document. Vol. #4203986,