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    Peonidin Chloride

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: 134-01-0, Peonidin (chloride), 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride, Ygm-6 (chloride), 3,4',5,7-tetrahydroxy-3'-methoxyflavylium chloride, Chebi:75033
    Molecular Formula
    C16H13ClO6
    Molecular Weight
    336.72  g/mol
    InChI Key
    OGBSHLKSHNAPEW-UHFFFAOYSA-N
    FDA UNII
    D0O766G47B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol;chloride
    2.1.2 InChI
    InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H
    2.1.3 InChI Key
    OGBSHLKSHNAPEW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-]
    2.2 Other Identifiers
    2.2.1 UNII
    D0O766G47B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Peonidin

    2.3.2 Depositor-Supplied Synonyms

    1. 134-01-0

    2. Peonidin (chloride)

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

    4. Ygm-6 (chloride)

    5. 3,4',5,7-tetrahydroxy-3'-methoxyflavylium Chloride

    6. Chebi:75033

    7. D0o766g47b

    8. 2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol;chloride

    9. Unii-d0o766g47b

    10. Einecs 205-125-6

    11. Peonidin [mi]

    12. 3,4',5,7-tetrahydroxy-3'-methoxy-2-phenylbenzopyrylium Chloride

    13. Schembl20016

    14. Chembl589665

    15. Hy-n2459

    16. 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium Chloride

    17. Mfcd00017587

    18. Db-042213

    19. Cs-0022689

    20. Ft-0631776

    21. C08726

    22. A806715

    23. J-006465

    24. Q55761740

    25. 2-(4-hydroxy-3-methoxy-phenyl)chromenylium-3,5,7-triol Chloride

    26. 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium Chloride

    27. 1-benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, Chloride

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 336.72 g/mol
    Molecular Formula C16H13ClO6
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass336.0400658 g/mol
    Monoisotopic Mass336.0400658 g/mol
    Topological Polar Surface Area91.2 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity378
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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