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Substance Name: Ethanone, 2-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-
RN: 57165-58-9
InChIKey: LJCVUKQHTRALER-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H12-O6

Molecular Weight

  • 276.2428
 
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Names and Synonyms

Synonyms

  • 2-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
  • beta-(3,4-Dihydroxyphenyl)-2,3,4-trihydroxyacetophenone

Systematic Name

  • Ethanone, 2-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 57165-58-9

System Generated Number

  • 0057165589

Structure Descriptors

InChI

1S/C14H12O6/c15-9-3-1-7(6-12(9)18)5-11(17)8-2-4-10(16)14(20)13(8)19/h1-4,6,15-16,18-20H,5H2

InChIKey

LJCVUKQHTRALER-UHFFFAOYSA-N

Smiles

c1cc(c(cc1CC(=O)c2ccc(c(c2O)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 730mg/kg (730mg/kg)   United States Patent Document. Vol. #4015017,
rat LD50 oral 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4015017,