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Substance Name: 3-Pyridinecarboxylic acid, 2-((phenylmethyl)amino)ethyl ester, dihydrochloride, hydrate
RN: 89054-81-9
InChIKey: VRSWHMLTKLYKEN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-N2-O2.2Cl-H.H2-O

Molecular Weight

  • 347.24
 
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Names and Synonyms

  • 3-Pyridinecarboxylic acid, 2-((phenylmethyl)amino)ethyl ester, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 89054-81-9

System Generated Number

  • 0089054819

Molecular Formulas

Molecular Formula

  • C15-H16-N2-O2.2Cl-H.H2-O

Molecular Formula Fragments

  • C15-H16-N2-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C15H16N2O2.2ClH.H2O/c18-15(14-7-4-8-16-12-14)19-10-9-17-11-13-5-2-1-3-6-13;;;/h1-8,12,17H,9-11H2;2*1H;1H2

InChIKey

VRSWHMLTKLYKEN-UHFFFAOYSA-N

Smiles

C(=O)(c1cnccc1)OCCNCc1ccccc1.Cl.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 5gm/kg (5000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 31, Pg. 4116, 1983.