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Substance Name: Benzeneacetic acid, alpha-(3-hydroxy-4-(4-hydroxyphenyl)-5-oxo-2(5H)-furanylidene)-, methyl ester
RN: 54805-74-2
InChIKey: IUFHWKYDRRRDHX-ICFOKQHNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H14-O6

Molecular Weight

  • 338.3136
 
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Names and Synonyms

Synonyms

  • BRN 1328768
  • Methyl alpha-(3-hydroxy-4-(4-hydroxyphenyl)-5-oxo-2(5H)-furanylidene)benzeneacetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 54805-74-2

System Generated Number

  • 0054805742

Structure Descriptors

InChI

1S/C19H14O6/c1-24-18(22)15(11-5-3-2-4-6-11)17-16(21)14(19(23)25-17)12-7-9-13(20)10-8-12/h2-10,20-21H,1H3/b17-15-

InChIKey

IUFHWKYDRRRDHX-ICFOKQHNSA-N

Smiles

COC(=O)/C(=C\1/C(=C(C(=O)O1)c2ccc(cc2)O)O)/c3ccccc3

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.