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Substance Name: Benzoic acid, 5-(3-(5-bromo-2,4-dihydroxyphenyl)-3-oxo-1-propenyl)-2-hydroxy-
RN: 78050-56-3
InChIKey: JSUDHEGPDOJCMT-HNQUOIGGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H11-Br-O6

Molecular Weight

  • 379.161
 
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Names and Synonyms

Synonyms

  • 5-(3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxo-1-propenyl)-2-hydroxybenzoic acid
  • BRN 4531262

Systematic Name

  • Benzoic acid, 5-(3-(5-bromo-2,4-dihydroxyphenyl)-3-oxo-1-propenyl)-2-hydroxy-

Registry Numbers

CAS Registry Number

  • 78050-56-3

System Generated Number

  • 0078050563

Structure Descriptors

InChI

1S/C16H11BrO6/c17-11-6-9(14(20)7-15(11)21)12(18)3-1-8-2-4-13(19)10(5-8)16(22)23/h1-7,19-21H,(H,22,23)/b3-1+

InChIKey

JSUDHEGPDOJCMT-HNQUOIGGSA-N

Smiles

c1(c(cc(O)c(c1)Br)O)C(\C=C\c1cc(c(O)cc1)C(O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 354, 1987.