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Substance Name: Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 74427-19-3
InChIKey: NHFQFUIIFZUTTC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-F-N-O2.Cl-H

Molecular Weight

  • 315.814
 
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Names and Synonyms

Synonym

  • N-(2-Fluoroethyl)-normeperidine hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 74427-19-3

System Generated Number

  • 0074427193

Molecular Formulas

Molecular Formula

  • C16-H22-F-N-O2.Cl-H

Molecular Formula Fragments

  • C16-H22-F-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22FNO2.ClH/c1-2-20-15(19)16(14-6-4-3-5-7-14)8-11-18(12-9-16)13-10-17;/h3-7H,2,8-13H2,1H3;1H

InChIKey

NHFQFUIIFZUTTC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Medicinal Chemistry. Vol. 23, Pg. 985, 1980.
rat LD50 intraperitoneal 20mg/kg (20mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Medicinal Chemistry. Vol. 23, Pg. 985, 1980.