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Substance Name: Isonipecotic acid, 1-(2-(p-fluorobenzoyl)allyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 102395-64-2
InChIKey: JUVKDVKZKPYCNE-UHFFFAOYSA-N

Molecular Formula

  • C24-H26-F-N-O3.Cl-H

Molecular Weight

  • 431.932
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102395-64-2

System Generated Number

  • 0102395642

Molecular Formulas

Molecular Formula

  • C24-H26-F-N-O3.Cl-H

Molecular Formula Fragments

  • C24-H26-F-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H26FNO3.ClH/c1-3-29-23(28)24(20-7-5-4-6-8-20)13-15-26(16-14-24)17-18(2)22(27)19-9-11-21(25)12-10-19;/h4-12H,2-3,13-17H2,1H3;1H

InChIKey

JUVKDVKZKPYCNE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11085,