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Substance Name: Isonipecotic acid, 1-(2-(p-fluorobenzoyl)ethyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 102395-65-3
InChIKey: MGGVEQTYGWIXEV-UHFFFAOYSA-N

Molecular Formula

  • C23-H26-F-N-O3.Cl-H

Molecular Weight

  • 419.921
 
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Names and Synonyms

Synonyms

  • 1-(2-(p-Fluorobenzoyl)ethyl)-4-phenylisonipecotic acid ethyl ester hydrochloride
  • 4-Fluorophenyl-2-(4-carbethoxy-4-phenylpiperidino)ethyl ketone hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102395-65-3

System Generated Number

  • 0102395653

Molecular Formulas

Molecular Formula

  • C23-H26-F-N-O3.Cl-H

Molecular Formula Fragments

  • C23-H26-F-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26FNO3.ClH/c1-2-28-22(27)23(19-6-4-3-5-7-19)13-16-25(17-14-23)15-12-21(26)18-8-10-20(24)11-9-18;/h3-11H,2,12-17H2,1H3;1H

InChIKey

MGGVEQTYGWIXEV-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CCC(c2ccc(F)cc2)=O)CC1)C(OCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 24mg/kg (24mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11084,