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Substance Name: Cycloheptanone, 2-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, monohydrobromide
RN: 67931-95-7
InChIKey: GVKUZRUOODMUML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-F3-N2-O.Br-H

Molecular Weight

  • 435.3254
 
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Names and Synonyms

Synonyms

  • 2-((4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)methyl)cycloheptanone monohydrobromide
  • 2-(4-(m-Trifluoromethylphenyl)piperazino)methyl-cycloheptanone hydrobromide
  • LJ 1176

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67931-95-7

System Generated Number

  • 0067931957

Molecular Formulas

Molecular Formula

  • C19-H25-F3-N2-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C19-H25-F3-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C19H25F3N2O.BrH/c20-19(21,22)16-6-4-7-17(13-16)24-11-9-23(10-12-24)14-15-5-2-1-3-8-18(15)25;/h4,6-7,13,15H,1-3,5,8-12,14H2;1H

InChIKey

GVKUZRUOODMUML-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)N2CCN(CC2)CC3CCCCCC3=O)C(F)(F)F.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1950mg/kg (1950mg/kg)   United States Patent Document. Vol. #4203986,