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Substance Name: Benzeneacetic acid, alpha-(3-hydroxy-4-(3-methylphenyl)-5-oxo-2(5H)-furanylidene)-3-methyl-, methyl ester
RN: 54805-66-2
InChIKey: RGESONYUZQQTPP-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 1329050
  • Methyl alpha-(3-hydroxy-4-(3-methylphenyl)-5-oxo-2(5H)-furanylidene)-3-methylbenzeneacetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 54805-66-2

System Generated Number

  • 0054805662

Structure Descriptors

InChI

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

InChIKey

RGESONYUZQQTPP-ZPHPHTNESA-N

Smiles

Cc1cccc(c1)C2=C(/C(=C(\c3cccc(c3)C)/C(=O)OC)/OC2=O)O

Toxicity

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