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Substance Name: Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride
RN: 95022-51-8
InChIKey: KOQAVMCLIIUUAX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N3-O2.2Cl-H

Molecular Weight

  • 376.325
 
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Names and Synonyms

Synonyms

  • 1-(2-(Amino(hydroxyimino)methyl)ethyl)-4-phenylisonipecotic acid ethyl ester dihydrochloride
  • VUFB3082

Systematic Name

  • Isonipecotic acid, 1-(2-amidinoethyl)-4-phenyl-, ethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 95022-51-8

System Generated Number

  • 0095022518

Molecular Formulas

Molecular Formula

  • C17-H25-N3-O2.2Cl-H

Molecular Formula Fragments

  • C17-H25-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25N3O2.2ClH/c1-2-22-16(21)17(14-6-4-3-5-7-14)9-12-20(13-10-17)11-8-15(18)19;;/h3-7H,2,8-13H2,1H3,(H3,18,19);2*1H

InChIKey

KOQAVMCLIIUUAX-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CCN(CCC([NH2+])=[NH+])CC1)C(OCC)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11800ug/kg (11.8mg/kg)   Cesko-Slovenska Farmacie. Vol. 12, Pg. 450, 1963.