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Substance Name: Isonipecotic acid, 1-(3-oxobutyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 16036-86-5
InChIKey: OWBPFWBYDKXVLI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N-O3.Cl-H

Molecular Weight

  • 339.86
 
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Names and Synonyms

Synonyms

  • 1-(3-Oxobutyl)-4-phenylisonipecotic acid ethyl ester hydrochloride
  • VUFB2809

Systematic Name

  • Isonipecotic acid, 1-(3-oxobutyl)-4-phenyl-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 16036-86-5

System Generated Number

  • 0016036865

Molecular Formulas

Molecular Formula

  • C18-H25-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H25-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25NO3.ClH/c1-3-22-17(21)18(16-7-5-4-6-8-16)10-13-19(14-11-18)12-9-15(2)20;/h4-8H,3,9-14H2,1-2H3;1H

InChIKey

OWBPFWBYDKXVLI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 58mg/kg (58mg/kg)   Cesko-Slovenska Farmacie. Vol. 12, Pg. 450, 1963.