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Substance Name: 1-Piperidinepropanol, alpha-(3-methylbutyl)-alpha-phenyl-, hydrochloride
RN: 63039-95-2
InChIKey: MBLKHYZSZIXBKL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H31-N-O.Cl-H

Molecular Weight

  • 325.9208
 
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Names and Synonyms

Synonyms

  • 1-(N-Piperidyl)-6-methyl-3-phenyl-heptanol hydrochloride
  • 3-Heptanol, 6-methyl-3-phenyl-1-(N-piperidyl) hydrochloride
  • alpha-(3-Methyl-butane)-alpha-(2-piperidyl-ethyl)-benzyl alcohol hydrochloride
  • Benzyl alcohol, alpha-(3-methyl-butane)-alpha-(2-piperidyl-ethyl)-, hydrochloride

Systematic Name

  • 1-Piperidinepropanol, alpha-(3-methylbutyl)-alpha-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63039-95-2

System Generated Number

  • 0063039952

Molecular Formulas

Molecular Formula

  • C19-H31-N-O.Cl-H

Molecular Formula Fragments

  • C19-H31-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H31NO.ClH/c1-17(2)11-12-19(21,18-9-5-3-6-10-18)13-16-20-14-7-4-8-15-20;/h3,5-6,9-10,17,21H,4,7-8,11-16H2,1-2H3;1H

InChIKey

MBLKHYZSZIXBKL-UHFFFAOYSA-N

Smiles

CC(C)CCC(CCN1CCCCC1)(c2ccccc2)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 151, 1949.
mouse LD50 intravenous 31mg/kg (31mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 151, 1949.
rat LD50 intraperitoneal 84mg/kg (84mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 151, 1949.
rat LD50 intravenous 25mg/kg (25mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 151, 1949.