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Substance Name: 2-Propen-1-one, 1-(5-acetyl-2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)-
RN: 108051-29-2
InChIKey: LNBQQCVTOWRQAV-GQCTYLIASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-O6

Molecular Weight

  • 342.3452
 
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Names and Synonyms

Synonyms

  • 1-(5-Acetyl-2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one
  • Acrylophenone, 5'-acetyl-2',4'-dihydroxy-3-(3,4-dimethoxyphenyl)-
  • BRN 5604752

Systematic Name

  • 2-Propen-1-one, 1-(5-acetyl-2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 108051-29-2

System Generated Number

  • 0108051292

Structure Descriptors

InChI

1S/C19H18O6/c1-11(20)13-9-14(17(23)10-16(13)22)15(21)6-4-12-5-7-18(24-2)19(8-12)25-3/h4-10,22-23H,1-3H3/b6-4+

InChIKey

LNBQQCVTOWRQAV-GQCTYLIASA-N

Smiles

CC(=O)c1cc(c(cc1O)O)C(=O)/C=C/c2ccc(c(c2)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 650mg/kg (650mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.