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Substance Name: Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride
RN: 59004-87-4
InChIKey: JWXMRZVAJUNJKZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O3.Cl-H

Molecular Weight

  • 373.8776
 
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Names and Synonyms

Synonyms

  • 1-(3-(Benzoyloxy)phenyl)-3-(1-piperidinyl)-1-propanone hydrochloride
  • 1-Propanone, 1-(3-(benzoyloxy)phenyl)-3-(1-piperidinyl)-, hydrochloride

Systematic Name

  • Propiophenone, 3'-hydroxy-3-piperidino-, benzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 59004-87-4

System Generated Number

  • 0059004874

Molecular Formulas

Molecular Formula

  • C21-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO3.ClH/c23-20(12-15-22-13-5-2-6-14-22)18-10-7-11-19(16-18)25-21(24)17-8-3-1-4-9-17;/h1,3-4,7-11,16H,2,5-6,12-15H2;1H

InChIKey

JWXMRZVAJUNJKZ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)Oc2cccc(c2)C(=O)CCN3CCCCC3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 194mg/kg (194mg/kg)   Japanese Journal of Pharmacology. Vol. 26, Pg. 111, 1976.