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Substance Name: 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-hydroxy-4-phenyl-1-piperidinyl)-, hydrochloride, hydrate
RN: 112446-90-9
InChIKey: XUFXFSIXMHAMMA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H33-N-O2.Cl-H.H2-O

Molecular Weight

  • 428.0126
 
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Names and Synonyms

Synonyms

  • 1-(4-Cyclopentylphenyl)-4-(4-hydroxy-4-phenyl-1-piperidinyl)-1-butanone hydrochloride hydrate
  • Butyrophenone, 4'-cyclopentyl-4-(4-hydroxy-4-phenylpiperidino)-, hydrochloride, hydrate

Systematic Name

  • 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-hydroxy-4-phenyl-1-piperidinyl)-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 112446-90-9

System Generated Number

  • 0112446909

Molecular Formulas

Molecular Formula

  • C26-H33-N-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C26-H33-N-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H33NO2.ClH/c28-25(23-14-12-22(13-15-23)21-7-4-5-8-21)11-6-18-27-19-16-26(29,17-20-27)24-9-2-1-3-10-24;/h1-3,9-10,12-15,21,29H,4-8,11,16-20H2;1H

InChIKey

XUFXFSIXMHAMMA-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)C4CCCC4)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1073, 1987.