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Substance Name: Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-
RN: 54530-73-3
InChIKey: KMNCTHOWFYWWGV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-F3-N2-O2

Molecular Weight

  • 296.247
 
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Names and Synonyms

Synonyms

  • 2-(3'-Trifluoromethylanilino)-6-methylnicotinic acid
  • 3-Pyridinecarboxylic acid, 6-methyl-2-((3-(trifluoromethyl)phenyl)amino)-
  • 5-22-13-00637 (Beilstein Handbook Reference)
  • 6-Methyl-2-(3'-trifluoromethylanilino)nicotinic acid
  • BRN 0431732

Systematic Name

  • Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-

Registry Numbers

CAS Registry Number

  • 54530-73-3

System Generated Number

  • 0054530733

Structure Descriptors

InChI

1S/C14H11F3N2O2/c1-8-5-6-11(13(20)21)12(18-8)19-10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3,(H,18,19)(H,20,21)

InChIKey

KMNCTHOWFYWWGV-UHFFFAOYSA-N

Smiles

c1(c(ccc(n1)C)C(O)=O)Nc1cc(ccc1)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 450mg/kg (450mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 26, Pg. 545, 1974.