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Substance Name: 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-
RN: 54785-40-9
InChIKey: TXNPKAZVKAHXGK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N-O3

Molecular Weight

  • 323.39
 
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Names and Synonyms

Synonyms

  • 2-(4-tert-Butylphenyl)-alpha-methyl-5-benzoxazoleacetic acid
  • BRN 1020189

Systematic Name

  • 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-

Registry Numbers

CAS Registry Number

  • 54785-40-9

System Generated Number

  • 0054785409

Structure Descriptors

InChI

1S/C20H21NO3/c1-12(19(22)23)14-7-10-17-16(11-14)21-18(24-17)13-5-8-15(9-6-13)20(2,3)4/h5-12H,1-4H3,(H,22,23)

InChIKey

TXNPKAZVKAHXGK-UHFFFAOYSA-N

Smiles

c12c(oc(n1)c1ccc(C(C)(C)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. 18, Pg. 53, 1975.