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Substance Name: o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-
RN: 50439-12-8
InChIKey: RPBXZQUBVUVVET-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H11-F3-O3

Molecular Weight

  • 308.2539
 
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Names and Synonyms

Synonyms

  • Acide (trifluoro methyl-3' benzoyl) alpha-orthotoluique
  • Acide (trifluoro methyl-3' benzoyl) alpha-orthotoluique [French]
  • alpha-(3-(Trifluoromethyl)benzoyl)-o-toluic acid
  • Benzoic acid, 2-(2-oxo-2-(3-(trifluoromethyl)phenyl)ethyl)-
  • BRN 2760201
  • F 1291

Systematic Name

  • o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-

Registry Numbers

CAS Registry Number

  • 50439-12-8

System Generated Number

  • 0050439128

Structure Descriptors

InChI

1S/C16H11F3O3/c17-16(18,19)12-6-3-5-11(8-12)14(20)9-10-4-1-2-7-13(10)15(21)22/h1-8H,9H2,(H,21,22)

InChIKey

RPBXZQUBVUVVET-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)CC(=O)c2cccc(c2)C(F)(F)F)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1700mg/kg (1700mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 397, 1974.