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    Technical details about Oenin Chloride, learn more about the structure, uses, toxicity, action, side effects and more

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    Oenin Chloride

    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: Oenin chloride, 7228-78-6, Oenin, Enin, Malvidin-3-o-glucoside chloride, B34f52d7nb
    Molecular Formula
    C23H25ClO12
    Molecular Weight
    528.9  g/mol
    InChI Key
    YDIKCZBMBPOGFT-DIONPBRTSA-N
    FDA UNII
    B34F52D7NB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
    2.1.2 InChI
    InChI=1S/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23;/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27);1H/t17-,19-,20+,21-,23-;/m1./s1
    2.1.3 InChI Key
    YDIKCZBMBPOGFT-DIONPBRTSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]
    2.1.5 Isomeric SMILES
    COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O.[Cl-]
    2.2 Other Identifiers
    2.2.1 UNII
    B34F52D7NB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (3'-o-methyl-(3)h)malvidin-3-glucoside

    2. Malvidin-3-glucoside

    2.3.2 Depositor-Supplied Synonyms

    1. Oenin Chloride

    2. 7228-78-6

    3. Oenin

    4. Enin

    5. Malvidin-3-o-glucoside Chloride

    6. B34f52d7nb

    7. 1329-33-5

    8. Malvidin-3-glucoside (chloride)

    9. Enoside

    10. Ligulin

    11. 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)chromenylium Chloride

    12. (2s,3r,4s,5s,6r)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

    13. 3-(beta-d-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium Chloride

    14. Malvidin-3-o-galactoside Chloride

    15. Malvidine-3-glucoside

    16. Unii-b34f52d7nb

    17. Nsc-70532

    18. Einecs 230-631-9

    19. Mfcd00185576

    20. Nsc 70532

    21. (3'-o-methyl-(3)h)malvidin-3-glucoside

    22. Malvidin Beta-d-glucoside

    23. Malvidin 3-glucoside Chloride

    24. Malvinidin 3-glucoside

    25. Oenin Chloride , Hplc Grade

    26. Chembl602754

    27. Dtxsid301028795

    28. Oenin Chloride, Analytical Standard

    29. Oenin Chloride, >=90% (hplc)

    30. Malvidin Mono-beta-d-glucopyranoside

    31. Akos015951116

    32. Malvidin 3-o-glucoside Chloride

    33. Hy-125740

    34. Cs-0093842

    35. Flavylium, 3,4',5,7-tetrahydroxy-3',5'-dimethoxy-, Chloride, Mono-beta-d-glucopyranoside

    36. 1-benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, Chloride, Mono-beta-d-glucopyranoside

    37. 1-benzopyrylium, 3-(.beta.-d-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, Chloride (1:1)

    38. 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium Chloride, Mono-beta-d-glucopyranoside

    39. 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)chromenyliumchloride

    40. 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)chromenylium Chloride

    41. Malvidin-3-o-glucoside Chloride Oenin Oenin Chloride Enin Chloride Cyclamin Cyclamin Chloride Malvidin-3-beta-glucoside Malvidin-3-glucoside Malvidin-3-glucoside Chloride Malvidin-3-o-glucoside Chloride 3-(beta-d-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydr

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 528.9 g/mol
    Molecular Formula C23H25ClO12
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count6
    Exact Mass528.1034539 g/mol
    Monoisotopic Mass528.1034539 g/mol
    Topological Polar Surface Area180 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity669
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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