Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Petunidin-3-glucoside
RN: 6988-81-4
UNII: AA9G36JBHT
InChIKey: HBKZHMZCXXQMOX-YATQZQGFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-O12.Cl

Molecular Weight

  • 514.865
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Petunidin-3-glucoside

Synonyms

  • Petunidin 3-glucoside
  • Petunidin 3-monoglucoside
  • Petunidin 3-O-glucoside
  • Petunidin-3-glucoside chloride
  • UNII-AA9G36JBHT

Systematic Names

  • 1-Benzopyrylium, 5,7-dihydroxy-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(beta-D-glucopyranosyloxy)-, chloride
  • Flavylium, 3-(beta-D-glucopyranosyloxy)-3',4',5,7-tetrahydroxy-5'-methoxy-, chloride (9CI)

Registry Numbers

CAS Registry Number

  • 6988-81-4

FDA UNII

  • AA9G36JBHT

System Generated Number

  • 0006988814

Molecular Formulas

Molecular Formula

  • C22-H23-O12.Cl

Molecular Formula Fragments

  • C22-H23-O12
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C22H22O12.ClH/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22;/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27);1H/t16-,18-,19+,20-,22-;/m1./s1

InChIKey

HBKZHMZCXXQMOX-YATQZQGFSA-N

Smiles

[o+]1c(c(cc2c1cc(cc2O)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)c1cc(c(c(c1)OC)O)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1750mg/kg (1750mg/kg)   United States Patent Document. Vol. #4229439,