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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
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Formulas
- Structure Descriptors
- Toxicity
- Physical Properties
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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);1HInChIKey
COAWNPJQKJEHPG-UHFFFAOYSA-NSmiles
[Cl-].Oc1cc(O)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.