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Substance Name: 3-Pyridinecarboxylic acid, 2-(butyl(3-pyridinylcarbonyl)amino)ethyl ester, hemihydrate
RN: 89054-86-4
InChIKey: ONGJMUMNHRVISS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-O3.1/2H2-O

Molecular Weight

  • 672.7786
 
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Names and Synonyms

Synonym

  • 2-(Butyl(3-pyridinylcarbonyl)amino)ethyl 3-pyridinecarboxylate hemihydrate

Systematic Name

  • 3-Pyridinecarboxylic acid, 2-(butyl(3-pyridinylcarbonyl)amino)ethyl ester, hemihydrate

Registry Numbers

CAS Registry Number

  • 89054-86-4

System Generated Number

  • 0089054864

Molecular Formulas

Molecular Formula

  • C18-H21-N3-O3.1/2H2-O

Molecular Formula Fragments

  • C18-H21-N3-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C18H21N3O3.H2O/c2*1-2-3-10-21(17(22)15-6-4-8-19-13-15)11-12-24-18(23)16-7-5-9-20-14-16;/h2*4-9,13-14H,2-3,10-12H2,1H3;1H2

InChIKey

ONGJMUMNHRVISS-UHFFFAOYSA-N

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.