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

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    Kuromanin Chloride

    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Chrysontemin, Kuromanine, 7084-24-4, Glucocyanidin, Kuromanin chloride, Asterin
    Molecular Formula
    C21H21ClO11
    Molecular Weight
    484.8  g/mol
    InChI Key
    YTMNONATNXDQJF-UBNZBFALSA-N
    FDA UNII
    8X15R84UEM
    Cyanidin 3-O-glucoside is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
    2.1.2 InChI
    InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1
    2.1.3 InChI Key
    YTMNONATNXDQJF-UBNZBFALSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O.[Cl-]
    2.1.5 Isomeric SMILES
    C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O.[Cl-]
    2.2 Other Identifiers
    2.2.1 UNII
    8X15R84UEM
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cyanidin 3-o-beta-d-glucoside

    2. Cyanidin-3,5-diglucoside

    3. Cyanidin-3-glucoside

    4. Cyanidin-3-o-beta-glucopyranoside

    5. Cyanidin-3-o-beta-glucoside

    2.3.2 Depositor-Supplied Synonyms

    1. Chrysontemin

    2. Kuromanine

    3. 7084-24-4

    4. Glucocyanidin

    5. Kuromanin Chloride

    6. Asterin

    7. Cyanidin-3-glucoside Chloride

    8. Cyanidol 3-glucoside

    9. Kuromanin (chloride)

    10. Chrysanthemin

    11. Cyanidin 3-monoglucoside

    12. Cyanidin 3-glucoside Chloride

    13. Glucocyanidin Chloride

    14. Cyanidin 3-o-glucoside Chloride

    15. Cyanidin-3-glucoside

    16. 8x15r84uem

    17. 47705-70-4

    18. 2-(3,4-dihydroxyphenyl)-3-(beta-d-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium Chloride

    19. Cyanidin-3-o-glucoside Chloride

    20. Cyanidine 3-glucoside

    21. Kuromanin

    22. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)chromenylium

    23. Cyanidin 3 Glucoside

    24. Einecs 230-384-7

    25. Unii-8x15r84uem

    26. Chrysontemin Chloride

    27. Schembl158216

    28. Dtxsid401028798

    29. (2s,3r,4s,5s,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

    30. Hy-n0640

    31. Cyanidin Chloride 3-glucoside

    32. Cyanidin-3-glucoside-chloride

    33. Mfcd27665410

    34. Cyanidin 3-o-glucopyranoside Chloride

    35. Cyanidin-3-o-beta-d-galactopyranoside

    36. Akos022185309

    37. Cs-5203

    38. 1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-(beta-d-glucopyranosyloxy)-5,7-dihydroxy-, Chloride

    39. 1-benzopyrylium, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(beta-d-glucopyranosyloxy)-, Chloride

    40. Ac-33936

    41. As-56225

    42. Cyanidin Chloride 3-glucoside [mi]

    43. Cyanidin-3-glucoside Chloride; Chrysanthemin

    44. N2562

    45. Cyanidin 3-glucoside Chloride [who-dd]

    46. Cyanidin-3-o-glucoside Chloride [usp-rs]

    47. Q-100788

    48. Q5114535

    49. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl Beta-d-glucopyranoside Chloride

    50. 1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-(.beta.-d-glucopyranosyloxy)-5,7-dihydroxy-, Chloride (1:1)

    51. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)chromenylium Chloride

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 484.8 g/mol
    Molecular Formula C21H21ClO11
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count4
    Exact Mass484.0772392 g/mol
    Monoisotopic Mass484.0772392 g/mol
    Topological Polar Surface Area181 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity623
    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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