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Substance Name: Digallic acid
RN: 536-08-3
UNII: 404KO0584X
InChIKey: COVFEVWNJUOYRL-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Nucleic Acid Synthesis Inhibitors

Molecular Formula

  • C14-H10-O9

Molecular Weight

  • 322.224
 
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Names and Synonyms

Name of Substance

  • Digallic acid

Synonyms

  • 3,4-Dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoic acid
  • 3-10-00-02086 (Beilstein Handbook Reference)
  • 3-Galloyl gallic acid
  • 5,6-Dihydroxy-3-carboxyphenyl ester of gallic acid
  • BRN 2177723
  • Digallic acid
  • EINECS 208-624-7
  • Gallic acid 3-monogallate
  • m-Digallic acid
  • m-Galloyl gallic acid
  • m-Galloylgallic acid
  • NSC 59263
  • UNII-404KO0584X

Systematic Names

  • 3,4-Dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoic acid
  • Benzoic acid, 3,4-dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)- (9CI)
  • Gallic acid, 3-gallate

Registry Numbers

CAS Registry Number

  • 536-08-3

FDA UNII

  • 404KO0584X

System Generated Number

  • 0000536083

Structure Descriptors

InChI

1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)

InChIKey

COVFEVWNJUOYRL-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1O)O)C(O)=O)C(Oc1cc(c(O)c(c1)O)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2260mg/kg (2260mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Canadian Medical Association Journal. Vol. 92, Pg. 1292, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 269 dec deg C   EXP
log P (octanol-water) 0.950 (none)   EST
Water Solubility 500 mg/L 25 EXP
Atmospheric OH Rate Constant 1.73E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.