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Substance Name: Benzeneacetic acid, alpha-(4-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene)-3,4-dimethoxy-, methyl ester, (E)-
RN: 38746-89-3
InChIKey: QETIBXSJBXBSMW-XUTLUUPISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H22-O9

Molecular Weight

  • 442.4178
 
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Names and Synonyms

Synonyms

  • 5-18-09-00412 (Beilstein Handbook Reference)
  • BRN 1335817

Systematic Names

  • Benzenacetic acid, alpha-(4-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene)-3,4-dimethoxy-, methyl ester
  • Benzeneacetic acid, alpha-(4-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene)-3,4-dimethoxy-, methyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 38746-89-3

System Generated Number

  • 0038746893

Structure Descriptors

InChI

1S/C23H22O9/c1-27-14-8-6-12(10-16(14)29-3)18-20(24)21(32-23(18)26)19(22(25)31-5)13-7-9-15(28-2)17(11-13)30-4/h6-11,24H,1-5H3/b21-19+

InChIKey

QETIBXSJBXBSMW-XUTLUUPISA-N

Smiles

COc1ccc(cc1OC)C2=C(/C(=C(/c3ccc(c(c3)OC)OC)\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.