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Substance Name: Benzoic acid, 2,4-dihydroxy-5-(3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)-
RN: 108051-40-7
InChIKey: OASSDTYGNQBLPV-DUXPYHPUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-O7

Molecular Weight

  • 330.291
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydroxy-5-(3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)benzoic acid
  • BRN 5604216

Systematic Name

  • Benzoic acid, 2,4-dihydroxy-5-(3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)-

Registry Numbers

CAS Registry Number

  • 108051-40-7

System Generated Number

  • 0108051407

Structure Descriptors

InChI

1S/C17H14O7/c1-24-16-6-9(3-5-13(16)19)2-4-12(18)10-7-11(17(22)23)15(21)8-14(10)20/h2-8,19-21H,1H3,(H,22,23)/b4-2+

InChIKey

OASSDTYGNQBLPV-DUXPYHPUSA-N

Smiles

c1(cc(c(O)cc1O)C(O)=O)C(\C=C\c1cc(c(O)cc1)OC)=O

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.