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Substance Name: 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-
RN: 51234-70-9
InChIKey: IWQDAJHWXYWODB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H12-F3-N-O3

Molecular Weight

  • 335.28
 
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Names and Synonyms

Synonyms

  • alpha-Methyl-2-(3-trifluoromethylphenyl)-5-benzoxazoleacetic acid
  • BRN 1089598

Systematic Name

  • 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-

Registry Numbers

CAS Registry Number

  • 51234-70-9

System Generated Number

  • 0051234709

Structure Descriptors

InChI

1S/C17H12F3NO3/c1-9(16(22)23)10-5-6-14-13(8-10)21-15(24-14)11-3-2-4-12(7-11)17(18,19)20/h2-9H,1H3,(H,22,23)

InChIKey

IWQDAJHWXYWODB-UHFFFAOYSA-N

Smiles

c1(c2cc(ccc2)C(F)(F)F)nc2cc([C@@H](C(O)=O)C)ccc2o1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1200mg/kg (1200mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 53, 1975.