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Substance Name: 1-Piperazinepropanol, beta-benzyl-alpha-cyclohexyl-4-methyl-alpha-phenyl-, dihydrochloride
RN: 40502-70-3
InChIKey: QUIGPJPZLAEFLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H38-N2-O.2Cl-H

Molecular Weight

  • 479.532
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40502-70-3

System Generated Number

  • 0040502703

Molecular Formulas

Molecular Formula

  • C27-H38-N2-O.2Cl-H

Molecular Formula Fragments

  • C27-H38-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H38N2O.2ClH/c1-28-17-19-29(20-18-28)22-26(21-23-11-5-2-6-12-23)27(30,24-13-7-3-8-14-24)25-15-9-4-10-16-25;;/h2-3,5-8,11-14,25-26,30H,4,9-10,15-22H2,1H3;2*1H

InChIKey

QUIGPJPZLAEFLL-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)CC(Cc2ccccc2)C(c3ccccc3)(C4CCCCC4)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 261mg/kg (261mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 408, 1974.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 293, 1972.