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Substance Name: 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-
RN: 21583-31-3
InChIKey: BWFSBUVPIAIXKJ-QHHAFSJGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-O5

Molecular Weight

  • 286.282
 
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Names and Synonyms

Synonyms

  • 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one
  • Acrylophenone, 2',4'-dihydroxy-3-(p-hydroxy-m-methoxyphenyl)-

Systematic Name

  • 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 21583-31-3

System Generated Number

  • 0021583313

Structure Descriptors

InChI

1S/C16H14O5/c1-21-16-8-10(3-7-14(16)19)2-6-13(18)12-5-4-11(17)9-15(12)20/h2-9,17,19-20H,1H3/b6-2+

InChIKey

BWFSBUVPIAIXKJ-QHHAFSJGSA-N

Smiles

C(\C=C\c1cc(c(cc1)O)OC)(=O)c1c(cc(cc1)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 630mg/kg (630mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.