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Substance Name: 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-methyl-1-piperazinyl)-, hydrochloride, hydrate (2:4:1)
RN: 112446-91-0
InChIKey: KSFJXHVZQYAYFX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-N2-O.2Cl-H.1/2H2-O

Molecular Weight

  • 387.3918
 
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Names and Synonyms

Synonyms

  • 1-(4-Cyclopentylphenyl)-4-(4-methyl-1-piperazinyl)-1-butanone hydrochloride hydrate (2:4:1)
  • RTECS EW3864000

Systematic Name

  • 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-methyl-1-piperazinyl)-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 112446-91-0

System Generated Number

  • 0112446910

Molecular Formulas

Molecular Formula

  • C20-H30-N2-O.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C20-H30-N2-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H30N2O.2ClH/c1-21-13-15-22(16-14-21)12-4-7-20(23)19-10-8-18(9-11-19)17-5-2-3-6-17;;/h8-11,17H,2-7,12-16H2,1H3;2*1H

InChIKey

KSFJXHVZQYAYFX-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)CCCC(=O)c2ccc(cc2)C3CCCC3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 62500ug/kg (62.5mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1073, 1987.