Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Delphinidin
RN: 528-53-0
UNII: EM6MD4AEHE
InChIKey: FFNDMZIBVDSQFI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H11-O7.Cl

Molecular Weight

  • 338.6979
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Delphinidin

Synonyms

  • 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium chloride
  • CCRIS 2518
  • Delfinidol chloride
  • Delphinidin
  • Delphinidine
  • Delphinidol
  • EINECS 208-437-0
  • Ephdine
  • IdB 1056
  • UNII-EM6MD4AEHE

Systematic Names

  • 1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride
  • 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium chloride
  • Delphinidin
  • Flavylium 3,3',4',5,5',7-hexahydroxy-, chloride (8CI)

Registry Numbers

CAS Registry Number

  • 528-53-0

FDA UNII

  • EM6MD4AEHE

Related Registry Number

  • 13270-61-6 (Parent)

System Generated Number

  • 0000528530

Molecular Formulas

Molecular Formula

  • C15-H11-O7.Cl

Molecular Formula Fragments

  • C15-H11-O7
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H

InChIKey

FFNDMZIBVDSQFI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 6gm/kg (6000mg/kg)   Phytotherapy Research. Vol. 6, Pg. 99, 1992.
rat LD oral > 6gm/kg (6000mg/kg)   Phytotherapy Research. Vol. 6, Pg. 99, 1992.
rat LD50 intraperitoneal 1250mg/kg (1250mg/kg)   United States Patent Document. Vol. #4229439,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point >350 deg C   EXP
log P (octanol-water) 2.140 (none)   EST
Atmospheric OH Rate Constant 2.88E-10 cm3/molecule-sec 25 EST

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