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Substance Name: 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-
RN: 139297-39-5
InChIKey: FOBVPHBKEWUUDT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-F-N2-O2

Molecular Weight

  • 248.2557
 
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Names and Synonyms

Synonyms

  • BRN 5853003
  • N-(2,6-Dimethylphenyl)-5-(fluoromethyl)-3-isoxazolecarboxamide

Systematic Name

  • 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-

Registry Numbers

CAS Registry Number

  • 139297-39-5

System Generated Number

  • 0139297395

Structure Descriptors

InChI

1S/C13H13FN2O2/c1-8-4-3-5-9(2)12(8)15-13(17)11-6-10(7-14)18-16-11/h3-6H,7H2,1-2H3,(H,15,17)

InChIKey

FOBVPHBKEWUUDT-UHFFFAOYSA-N

Smiles

Cc1cccc(c1NC(=O)c2cc(on2)CF)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 581, 1992.