Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Petunidin
RN: 1429-30-7
UNII: WRK4Q8K2D8
InChIKey: QULMBDNPZCFSPR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-O7.Cl

Molecular Weight

  • 352.725
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Petunidin

Synonyms

  • 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride
  • EINECS 215-849-4
  • NSC 11907
  • Petunidin (6CI)
  • Petunidin chloride
  • Petunidol
  • Petunidol chloride
  • UNII-WRK4Q8K2D8

Systematic Names

  • 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, chloride
  • 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyryliumchloride
  • 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium chloride (7CI)
  • Flavylium, 3,3',4',5,7-pentahydroxy-5'-methoxy-, chloride (8CI)

Registry Numbers

CAS Registry Number

  • 1429-30-7

FDA UNII

  • WRK4Q8K2D8

System Generated Number

  • 0001429307

Molecular Formulas

Molecular Formula

  • C16-H13-O7.Cl

Molecular Formula Fragments

  • C16-H13-O7
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H

InChIKey

QULMBDNPZCFSPR-UHFFFAOYSA-N

Smiles

[o+]1c2c(c(O)cc(c2)O)cc(c1c1cc(O)c(c(c1)OC)O)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4229439,