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Substance Name: 1-Butanone, 4-(4-(diphenylmethyl)-1-piperazinyl)-1-phenyl-, dihydrochloride
RN: 113913-48-7
InChIKey: HECRDLCFPFFATB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H30-N2-O.2Cl-H

Molecular Weight

  • 471.469
 
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Names and Synonyms

Synonym

  • 4-(4-(Diphenylmethyl)-1-piperazinyl)-1-phenyl-1-butanone dihydrochloride

Systematic Name

  • 1-Butanone, 4-(4-(diphenylmethyl)-1-piperazinyl)-1-phenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 113913-48-7

System Generated Number

  • 0113913487

Molecular Formulas

Molecular Formula

  • C27-H30-N2-O.2Cl-H

Molecular Formula Fragments

  • C27-H30-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H30N2O.2ClH/c30-26(23-11-4-1-5-12-23)17-10-18-28-19-21-29(22-20-28)27(24-13-6-2-7-14-24)25-15-8-3-9-16-25;;/h1-9,11-16,27H,10,17-22H2;2*1H

InChIKey

HECRDLCFPFFATB-UHFFFAOYSA-N

Smiles

N1(C(c2ccccc2)c2ccccc2)CCN(CCCC(=O)c2ccccc2)CC1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 21mg/kg (21mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 37, Pg. 1103, 1987.
mouse LD50 oral 690mg/kg (690mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 37, Pg. 1103, 1987.