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Substance Name: 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)-
RN: 51234-64-1
InChIKey: GYPZUNUCQUOPSL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H13-N-O5

Molecular Weight

  • 311.292
 
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Names and Synonyms

Synonyms

  • alpha-Methyl-2-(3,4-methylenedioxyphenyl)-5-benzoxazoleacetic acid
  • BRN 0567987

Systematic Name

  • 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)-

Registry Numbers

CAS Registry Number

  • 51234-64-1

System Generated Number

  • 0051234641

Structure Descriptors

InChI

1S/C17H13NO5/c1-9(17(19)20)10-2-4-13-12(6-10)18-16(23-13)11-3-5-14-15(7-11)22-8-21-14/h2-7,9H,8H2,1H3,(H,19,20)

InChIKey

GYPZUNUCQUOPSL-UHFFFAOYSA-N

Smiles

c1(c2cc3c(OCO3)cc2)nc2cc([C@@H](C(O)=O)C)ccc2o1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 53, 1975.