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Substance Name: 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)-
RN: 51234-30-1
InChIKey: LGCXCJYMHGXDBQ-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-(4-methylphenyl)-6-benzoxazoleacetic acid
  • alpha-Methyl-2-(p-tolyl)-6-benzoxazoleacetic acid
  • BRN 1010800

Systematic Name

  • 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)-

Registry Numbers

CAS Registry Number

  • 51234-30-1

System Generated Number

  • 0051234301

Structure Descriptors

InChI

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

InChIKey

LGCXCJYMHGXDBQ-UHFFFAOYSA-N

Smiles

c12c(nc(o1)c1ccc(C)cc1)ccc(c2)[C@@H](C(O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1200mg/kg (1200mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 797, 1977.