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Substance Name: 5-Benzoxazoleacetic acid, 2-(4-bromophenyl)-alpha-methyl-, sodium salt
RN: 51234-39-0
InChIKey: UENZAQFJJDOROP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H11-Br-N-O3.Na

Molecular Weight

  • 368.161
 
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Names and Synonyms

Synonym

  • Sodium 2-(p-bromophenyl)-alpha-methyl-5-benzoxazoleacetate

Systematic Name

  • 5-Benzoxazoleacetic acid, 2-(4-bromophenyl)-alpha-methyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 51234-39-0

System Generated Number

  • 0051234390

Molecular Formulas

Molecular Formula

  • C16-H11-Br-N-O3.Na

Molecular Formula Fragments

  • C16-H11-Br-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H12BrNO3.Na/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10;/h2-9H,1H3,(H,19,20);/q;+1/p-1

InChIKey

UENZAQFJJDOROP-UHFFFAOYSA-M

Smiles

c12c(oc(n1)c1ccc(Br)cc1)ccc(c2)[C@@H](C(=O)[O-])C.[Na+]

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.