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Substance Name: 1-Piperazinepropanol, beta-benzyl-alpha-butyl-4-methyl-alpha-phenyl-, dihydrochloride
RN: 40502-68-9
InChIKey: QXOKTPHGJNCWRB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H35-N2-O.2Cl-H

Molecular Weight

  • 453.4942
 
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Names and Synonyms

Synonyms

  • 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol dihydrochloride
  • 1-Propanol, 1-butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-, dihydrochloride
  • beta-Benzyl-alpha-butyl-4-methyl-alpha-phenyl-1-piperazinepropanol dihydrochloride

Systematic Name

  • 1-Piperazinepropanol, beta-benzyl-alpha-butyl-4-methyl-alpha-phenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 40502-68-9

System Generated Number

  • 0040502689

Molecular Formulas

Molecular Formula

  • C25-H35-N2-O.2Cl-H

Molecular Formula Fragments

  • C25-H35-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H36N2O.2ClH/c1-3-4-15-25(28,23-13-9-6-10-14-23)24(20-22-11-7-5-8-12-22)21-27-18-16-26(2)17-19-27;;/h5-14,24,28H,3-4,15-21H2,1-2H3;2*1H

InChIKey

QXOKTPHGJNCWRB-UHFFFAOYSA-N

Smiles

CCCCC(c1ccccc1)(C(Cc2ccccc2)CN3CCN(CC3)C)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 182mg/kg (182mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 408, 1974.
mouse LD50 oral 1620mg/kg (1620mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 293, 1972.