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Substance Name: Cyanidin chloride
RN: 528-58-5
UNII: 2G4283G96U
InChIKey: COAWNPJQKJEHPG-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C15-H11-O6.Cl

Molecular Weight

  • 322.699
 
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Names and Synonyms

Name of Substance

  • Cyanidin chloride
  • Idb 1027

Synonyms

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride
  • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride
  • 3,3',4',5,7-Pentahydroxy-2-phenylbenzopyrylium chloride
  • 3,3'4',5,7-Pentahydroxyflavylium chloride
  • Cyanidin chloride
  • Cyanidol chloride
  • EINECS 208-438-6
  • Gastrotelos
  • IdB-1027
  • NSC 407291
  • UNII-2G4283G96U

Systematic Names

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride
  • 3,3',4',5,7-Pentahydroxyflavylium chloride
  • Flavylium, 3,3'4',5,7-pentahydroxy-, chloride

Registry Numbers

CAS Registry Number

  • 528-58-5

FDA UNII

  • 2G4283G96U

Related Registry Number

  • 13306-05-3 (Parent)

System Generated Number

  • 0000528585

Molecular Formulas

Molecular Formula

  • C15-H11-O6.Cl

Molecular Formula Fragments

  • C15-H11-O6
  • Cl
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H

InChIKey

COAWNPJQKJEHPG-UHFFFAOYSA-N

Smiles

[Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 3gm/kg (3000mg/kg)   Drugs of the Future. Vol. 14, Pg. 224, 1989.
mammal (species unspecified) LD oral > 6gm/kg (6000mg/kg)   Drugs of the Future. Vol. 14, Pg. 224, 1989.
rat LD50 intraperitoneal 1500mg/kg (1500mg/kg)   United States Patent Document. Vol. #4229439,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point > 300 deg C   EXP
log P (octanol-water) 2.200 (none)   EST
Atmospheric OH Rate Constant 2.88E-10 cm3/molecule-sec 25 EST

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