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Substance Name: Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 60789-94-8
InChIKey: HLEVPWCWUZKNTL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N-O3.Cl-H

Molecular Weight

  • 401.931
 
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Names and Synonyms

Synonyms

  • 1-(2-Benzoylethyl)-4-phenylisonipecotic acid ethyl ester hydrochloride
  • 2-(N-(4-Carbethoxy-4-phenyl)piperidino)propiophenone hydrochloride
  • 4-Piperidinecarboxylic acid, 1-(3-oxo-3-phenylpropyl)-4-phenyl-, ethyl ester, hydrochloride
  • Propiophenone, 3-(N-(4'-carbethoxy-4'-phenyl)piperidino)-, hydrochloride
  • SC-8775

Systematic Name

  • Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 60789-94-8

System Generated Number

  • 0060789948

Molecular Formulas

Molecular Formula

  • C23-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C23-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27NO3.ClH/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19;/h3-12H,2,13-18H2,1H3;1H

InChIKey

HLEVPWCWUZKNTL-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CCC(c2ccccc2)=O)CC1)C(OCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 44mg/kg (44mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 299, 1972.
mouse LD50 intravenous 13800ug/kg (13.8mg/kg)   Acta Physiologica et Pharmacologica Neerlandica. Vol. 7, Pg. 373, 1958.
mouse LD50 oral 610mg/kg (610mg/kg)   Acta Physiologica et Pharmacologica Neerlandica. Vol. 7, Pg. 373, 1958.
mouse LD50 subcutaneous 215mg/kg (215mg/kg)   Acta Physiologica et Pharmacologica Neerlandica. Vol. 7, Pg. 373, 1958.
rat LD50 intraperitoneal > 112mg/kg (112mg/kg)   Acta Physiologica et Pharmacologica Neerlandica. Vol. 7, Pg. 373, 1958.
rat LD50 intravenous 3300ug/kg (3.3mg/kg)   Acta Physiologica et Pharmacologica Neerlandica. Vol. 7, Pg. 373, 1958.
rat LD50 oral 145mg/kg (145mg/kg)   Acta Physiologica et Pharmacologica Neerlandica. Vol. 7, Pg. 373, 1958.
rat LD50 subcutaneous 360mg/kg (360mg/kg)   Acta Physiologica et Pharmacologica Neerlandica. Vol. 7, Pg. 373, 1958.