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Substance Name: Benzeneacetic acid, alpha-(3-hydroxy-4-(2-methylphenyl)-5-oxo-2(5H)-furanylidene)-2-methyl-, methyl ester
RN: 54805-67-3
InChIKey: RIRXJAVCVVYLSA-ZPHPHTNESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-O5

Molecular Weight

  • 350.3682
 
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Names and Synonyms

Synonyms

  • BRN 1329557
  • Methyl alpha-(3-hydroxy-4-(2-methylphenyl)-5-oxo-2(5H)-furanylidene)-2-methylbenzeneacetate

Systematic Name

  • Benzeneacetic acid, alpha-(3-hydroxy-4-(2-methylphenyl)-5-oxo-2(5H)-furanylidene)-2-methyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 54805-67-3

System Generated Number

  • 0054805673

Structure Descriptors

InChI

1S/C21H18O5/c1-12-8-4-6-10-14(12)16-18(22)19(26-21(16)24)17(20(23)25-3)15-11-7-5-9-13(15)2/h4-11,22H,1-3H3/b19-17-

InChIKey

RIRXJAVCVVYLSA-ZPHPHTNESA-N

Smiles

Cc1ccccc1C2=C(/C(=C(\c3ccccc3C)/C(=O)OC)/OC2=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 199, 1975.