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Substance Name: 2,2',4'-Trihydroxy-3,5,5'-tribromochalcone
RN: 82846-39-7
InChIKey: SIHMNQQYZIEFAH-OWOJBTEDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H9-Br3-O4

Molecular Weight

  • 492.9441
 
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Names and Synonyms

Results Name

  • 2,2',4'-Trihydroxy-3,5,5'-tribromochalcone

Synonyms

  • 1-(5-Bromo-2,4-dihydroxyphenyl)-3-(3,5-dibromo-2-hydroxyphenyl)-2-propen-1-one
  • 2,2',4'-Trihydroxy-3,5,5'-tribromochalcone
  • Acrylophenone, 5'-bromo-2',4'-dihydroxy-3-(3,5-dibromo-o-hydroxyphenyl)-
  • BRN 5595548

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 82846-39-7

System Generated Number

  • 0082846397

Structure Descriptors

InChI

1S/C15H9Br3O4/c16-8-3-7(15(22)11(18)4-8)1-2-12(19)9-5-10(17)14(21)6-13(9)20/h1-6,20-22H/b2-1+

InChIKey

SIHMNQQYZIEFAH-OWOJBTEDSA-N

Smiles

c1c(cc(c(c1/C=C/C(=O)c2cc(c(cc2O)O)Br)O)Br)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 60mg/kg (60mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.