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Substance Name: 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride
RN: 112446-92-1
InChIKey: ARMNYHAWWSXYAH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H32-N2-O2.2Cl-H

Molecular Weight

  • 417.418
 
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Names and Synonyms

Synonyms

  • 1-(4-Cyclopentylphenyl)-4-(4-(2-hydroxyethyl)-1-piperazinyl)-1-butanone dihydrochloride
  • Butyrophenone, 4'-cyclopentyl-4-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride

Systematic Name

  • 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 112446-92-1

System Generated Number

  • 0112446921

Molecular Formulas

Molecular Formula

  • C21-H32-N2-O2.2Cl-H

Molecular Formula Fragments

  • C21-H32-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H32N2O2.2ClH/c24-17-16-23-14-12-22(13-15-23)11-3-6-21(25)20-9-7-19(8-10-20)18-4-1-2-5-18;;/h7-10,18,24H,1-6,11-17H2;2*1H

InChIKey

ARMNYHAWWSXYAH-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)CCO)CCCC(c1ccc(C2CCCC2)cc1)=O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1073, 1987.
mouse LD50 oral 1500mg/kg (1500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1073, 1987.