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Substance Name: 2-Propen-1-one, 1-(5-bromo-2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)-
RN: 78050-53-0
InChIKey: WLFUUNZIHFWBHM-HWKANZROSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-Br-O5

Molecular Weight

  • 379.2045
 
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Names and Synonyms

Synonyms

  • 1-(5-Bromo-2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one
  • Acrylophenone, 5'-bromo-2',4'-dihydroxy-3-(3,4-dimethoxyphenyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78050-53-0

System Generated Number

  • 0078050530

Structure Descriptors

InChI

1S/C17H15BrO5/c1-22-16-6-4-10(7-17(16)23-2)3-5-13(19)11-8-12(18)15(21)9-14(11)20/h3-9,20-21H,1-2H3/b5-3+

InChIKey

WLFUUNZIHFWBHM-HWKANZROSA-N

Smiles

COc1ccc(cc1OC)/C=C/C(=O)c2cc(c(cc2O)O)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.