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Substance Name: 3-Pyridinecarboxylic acid, 2-(butylamino)ethyl ester, dihydrochloride, hydrate
RN: 89054-75-1
InChIKey: XPVLDIZJWMUQDL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O2.2Cl-H.H2-O

Molecular Weight

  • 313.2228
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 89054-75-1

System Generated Number

  • 0089054751

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O2.2Cl-H.H2-O

Molecular Formula Fragments

  • C12-H18-N2-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C12H18N2O2.2ClH.H2O/c1-2-3-6-13-8-9-16-12(15)11-5-4-7-14-10-11;;;/h4-5,7,10,13H,2-3,6,8-9H2,1H3;2*1H;1H2

InChIKey

XPVLDIZJWMUQDL-UHFFFAOYSA-N

Smiles

Cl.Cl.O.N(CCOC(=O)c1cnccc1)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5gm/kg (5000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 31, Pg. 4116, 1983.