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Substance Name: Benzeneacetic acid, 4-(5-(4-fluorophenyl)-3-isoxazolyl)-alpha-methyl-, methyl ester
RN: 78868-53-8
InChIKey: AHSUOGMFXVPPPG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H16-F-N-O3

Molecular Weight

  • 325.3374
 
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Names and Synonyms

Synonyms

  • BRN 4538599
  • Methyl 4-(5-(4-fluorophenyl)-3-isoxazolyl)-alpha-methylbenzeneacetate

Systematic Name

  • Benzeneacetic acid, 4-(5-(4-fluorophenyl)-3-isoxazolyl)-alpha-methyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 78868-53-8

System Generated Number

  • 0078868538

Structure Descriptors

InChI

1S/C19H16FNO3/c1-12(19(22)23-2)13-3-5-14(6-4-13)17-11-18(24-21-17)15-7-9-16(20)10-8-15/h3-12H,1-2H3

InChIKey

AHSUOGMFXVPPPG-UHFFFAOYSA-N

Smiles

CC(c1ccc(cc1)c2cc(on2)c3ccc(cc3)F)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 401, 1981.