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Substance Name: Benzoic acid, 5-(3-(3-carboxy-4-hydroxyphenyl)-1-oxo-2-propenyl)-2,4-dihydroxy-
RN: 82846-16-0
InChIKey: OYEUDHNILRCDKI-HNQUOIGGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H12-O8

Molecular Weight

  • 344.274
 
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Names and Synonyms

Synonym

  • 5-(3-(3-Carboxy-4-hydroxyphenyl)-1-oxo-2-propenyl)-2,4-dihydroxybenzoic acid

Systematic Name

  • Benzoic acid, 5-(3-(3-carboxy-4-hydroxyphenyl)-1-oxo-2-propenyl)-2,4-dihydroxy-

Registry Numbers

CAS Registry Number

  • 82846-16-0

System Generated Number

  • 0082846160

Structure Descriptors

InChI

1S/C17H12O8/c18-12(9-6-11(17(24)25)15(21)7-14(9)20)3-1-8-2-4-13(19)10(5-8)16(22)23/h1-7,19-21H,(H,22,23)(H,24,25)/b3-1+

InChIKey

OYEUDHNILRCDKI-HNQUOIGGSA-N

Smiles

c1(cc(c(O)cc1O)C(O)=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 750mg/kg (750mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 354, 1987.