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Substance Name: 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, hydrochloride
RN: 112446-95-4
InChIKey: MXVHNXJVPBWISU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-F3-N2-O.Cl-H

Molecular Weight

  • 480.9988
 
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Names and Synonyms

Synonym

  • 1-(4-Cyclopentylphenyl)-4-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-1-butanone HCl

Systematic Name

  • 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 112446-95-4

System Generated Number

  • 0112446954

Molecular Formulas

Molecular Formula

  • C26-H31-F3-N2-O.Cl-H

Molecular Formula Fragments

  • C26-H31-F3-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H31F3N2O.ClH/c27-26(28,29)23-7-3-8-24(19-23)31-17-15-30(16-18-31)14-4-9-25(32)22-12-10-21(11-13-22)20-5-1-2-6-20;/h3,7-8,10-13,19-20H,1-2,4-6,9,14-18H2;1H

InChIKey

MXVHNXJVPBWISU-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)N2CCN(CC2)CCCC(=O)c3ccc(cc3)C4CCCC4)C(F)(F)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 300mg/kg (300mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1073, 1987.