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Substance Name: 2-Propen-1-one, 1-(5-bromo-2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-
RN: 78050-54-1
InChIKey: LGBNGKJFPZTKRU-DUXPYHPUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-Br-O5

Molecular Weight

  • 365.1777
 
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Names and Synonyms

Synonyms

  • 1-(5-Bromo-2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
  • Acrylophenone, 5'-bromo-2',4'-dihydroxy-3-(m-hydroxy-p-methoxyphenyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78050-54-1

System Generated Number

  • 0078050541

Structure Descriptors

InChI

1S/C16H13BrO5/c1-22-16-5-3-9(6-15(16)21)2-4-12(18)10-7-11(17)14(20)8-13(10)19/h2-8,19-21H,1H3/b4-2+

InChIKey

LGBNGKJFPZTKRU-DUXPYHPUSA-N

Smiles

COc1ccc(cc1O)/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 250mg/kg (250mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.