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Substance Name: Isonipecotic acid, 1-amino-4-phenyl-, ethyl ester, monohydrochloride
RN: 2048-53-5
InChIKey: BMDYBOIAHVHUEK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-N2-O2.Cl-H

Molecular Weight

  • 284.785
 
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Names and Synonyms

Synonyms

  • 1-Amino-4-phenylisonipecotic acid ethyl ester hydrochloride
  • VUFB2753

Systematic Name

  • Isonipecotic acid, 1-amino-4-phenyl-, ethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 2048-53-5

System Generated Number

  • 0002048535

Molecular Formulas

Molecular Formula

  • C14-H20-N2-O2.Cl-H

Molecular Formula Fragments

  • C14-H20-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H20N2O2.ClH/c1-2-18-13(17)14(8-10-16(15)11-9-14)12-6-4-3-5-7-12;/h3-7H,2,8-11,15H2,1H3;1H

InChIKey

BMDYBOIAHVHUEK-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(C(OCC)=O)CCN([NH3+])CC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 187mg/kg (187mg/kg)   Cesko-Slovenska Farmacie. Vol. 12, Pg. 450, 1963.