Cyanidin Chloride

Synopsis, Chemistry

ANALYTICAL SOLUTION(s)

1 EDQM Standards, 1 USP Standards, 4 Other Ref. Standards

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Also known as: 528-58-5, Cyanidol chloride, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium chloride, Gastrotelos, Cyanidin (chloride), Idb 1027

Molecular Formula

C₁₅H₁₁ClO₆

Molecular Weight

322.69 g/mol

InChI Key

COAWNPJQKJEHPG-UHFFFAOYSA-N

FDA UNII

2G4283G96U

1 2D Structure

Cyanidin Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol;chloride

2.1.2 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

2.1.3 InChI Key

COAWNPJQKJEHPG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

2G4283G96U

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, Chloride

2. 1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, Chloride (1:1)

3. 2-(3,4-dihydroxyphenyl) Chromenylium-3,5,7-triol

4. 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium Chloride

5. 3,3',4',5,7-pentahydroxy-2-phenylbenzopyrylium Chloride

6. 3,5,7,3',4'-pentahydroxyflavylium

7. Cyanidin

8. Cyanidin Cation

9. Cyanidin Ion

10. Cyanidine

11. Cyanidol

12. Cyanidol Chloride

13. Flavylium, 3,3',4',5,7-pentahydroxy-

14. Flavylium, 3,3',4',5,7-pentahydroxy-, Chloride

15. Idb 1027

16. Idb-1027

2.3.2 Depositor-Supplied Synonyms

1. 528-58-5

2. Cyanidol Chloride

3. 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium Chloride

4. Gastrotelos

5. Cyanidin (chloride)

6. Idb 1027

7. Idb-1027

8. 3,3',4',5,7-pentahydroxyflavylium Chloride

9. 1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, Chloride

10. 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium Chloride

11. 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol Chloride

12. Chembl511367

13. Cyanidol

14. Nsc407291

15. 2g4283g96u

16. 3,3',4',5,7-pentahydroxy-2-phenylbenzopyrylium Chloride

17. Nsc-407291

18. 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol;chloride

19. Cyanidinchloride

20. Einecs 208-438-6

21. Nsc 407291

22. 3,3'4',5,7-pentahydroxyflavylium Chloride

23. Unii-2g4283g96u

24. Cyanidin-chloride

25. Mfcd00017582

26. Cyanidin Hydrochloride

27. Flavylium, 3,3'4',5,7-pentahydroxy-, Chloride

28. Schembl156277

29. Cyanidin Chloride [mi]

30. Dtxsid80967263

31. Cyanidin Chloride [usp-rs]

32. Bcp24007

33. Hy-n0499

34. Bdbm50462423

35. Cyanidin Chloride, >=95% (hplc)

36. Cyanidin Chloride, Analytical Standard

37. Akos016010264

38. 3,4',5,7-pentahydroxyflavylium Chloride

39. Ac-34419

40. As-71153

41. Db-052195

42. Cs-0009023

43. N2525

44. Flavylium,3',4',5,7-pentahydroxy-, Chloride

45. Flavylium, 3,3',4',5,7-pentahydroxy-, Chloride

46. Q-100600

47. 3,4',5,7-pentahydroxy-2-phenylbenzopyrylium Chloride

48. Q27254696

49. 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenyliumchloride

50. 1-benzopyrylium,4-dihydroxyphenyl)-3,5,7-trihydroxy-, Chloride

51. Cyanidin Chloride, European Pharmacopoeia (ep) Reference Standard

52. 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1??-chromen-1-ylium Chloride

53. Cyanidin Chloride, United States Pharmacopeia (usp) Reference Standard

54. 1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, Chloride (1:1)

55. 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1$l^{4}-chromen-1-ylium Chloride

2.4 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₁ClO₆
Molecular Weight	322.69 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	322.0244158 g/mol
Monoisotopic Mass	322.0244158 g/mol
Topological Polar Surface Area	102 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	364
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2