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Substance Name: 5-Benzoxazoleacetic acid, alpha-methyl-2-(o-tolyl)-
RN: 54785-37-4
InChIKey: VGTADLXBZBVHSO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-N-O3

Molecular Weight

  • 281.31
 
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Names and Synonyms

Synonyms

  • alpha-Methyl-2-(o-tolyl)-5-benzoxazoleacetic acid
  • BRN 1083951

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 54785-37-4

System Generated Number

  • 0054785374

Structure Descriptors

InChI

1S/C17H15NO3/c1-10-5-3-4-6-13(10)16-18-14-9-12(11(2)17(19)20)7-8-15(14)21-16/h3-9,11H,1-2H3,(H,19,20)

InChIKey

VGTADLXBZBVHSO-UHFFFAOYSA-N

Smiles

c1(c2c(cccc2)C)nc2cc([C@@H](C(O)=O)C)ccc2o1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 53, 1975.