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Substance Name: 3-Pyridinecarboxamide, N-(2-amino-5-(trifluoromethyl)phenyl)-, dihydrochloride
RN: 59214-90-3
InChIKey: WTTHDCQULQWLBP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-F3-N3-O.2Cl-H

Molecular Weight

  • 354.1578
 
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Names and Synonyms

Synonyms

  • 2-Amino-5-trifluoromethylanilide of nicotinic acid dihydrochloride
  • N-(2-Amino-5-(trifluoromethyl)phenyl)-3-pyridinecarboxamide dihydrochloride

Systematic Name

  • 3-Pyridinecarboxamide, N-(2-amino-5-(trifluoromethyl)phenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 59214-90-3

System Generated Number

  • 0059214903

Molecular Formulas

Molecular Formula

  • C13-H10-F3-N3-O.2Cl-H

Molecular Formula Fragments

  • C13-H10-F3-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H10F3N3O.2ClH/c14-13(15,16)9-3-4-10(17)11(6-9)19-12(20)8-2-1-5-18-7-8;;/h1-7H,17H2,(H,19,20);2*1H

InChIKey

WTTHDCQULQWLBP-UHFFFAOYSA-N

Smiles

c1cc(cnc1)C(=O)Nc2cc(ccc2N)C(F)(F)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1200mg/kg (1200mg/kg)   United States Patent Document. Vol. #4107316,
rat LD50 oral 850mg/kg (850mg/kg)   United States Patent Document. Vol. #4107316,