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Substance Name: 1-Piperidinepropanol, alpha-butyl-alpha-phenyl-, hydrochloride
RN: 63039-97-4
InChIKey: KTOSGPIWWMEEJV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N-O.Cl-H

Molecular Weight

  • 311.894
 
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Names and Synonyms

Synonyms

  • 1-(N-Piperidyl)-3-phenyl-3-heptanol hydrochloride
  • 3-Heptanol, 3-phenyl-1-(N-piperidino)-, hydrochloride
  • alpha-Butyl-alpha-(2-piperidyl-ethyl) benzyl alcohol hydrochloride
  • Benzyl alcohol, alpha-butyl-alpha-(2-piperidyl-ethyl) hydrochloride

Systematic Name

  • 1-Piperidinepropanol, alpha-butyl-alpha-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63039-97-4

System Generated Number

  • 0063039974

Molecular Formulas

Molecular Formula

  • C18-H25-N-O.Cl-H

Molecular Formula Fragments

  • C18-H25-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29NO.ClH/c1-2-3-12-18(20,17-10-6-4-7-11-17)13-16-19-14-8-5-9-15-19;/h4,6-7,10-11,20H,2-3,5,8-9,12-16H2,1H3;1H

InChIKey

KTOSGPIWWMEEJV-UHFFFAOYSA-N

Smiles

CCCCC(CCN1CCCCC1)(c2ccccc2)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 131mg/kg (131mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 151, 1949.
mouse LD50 intravenous 37mg/kg (37mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 151, 1949.
rat LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 151, 1949.
rat LD50 intravenous 28mg/kg (28mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 151, 1949.