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    Potassium Dobesilate

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 21799-87-1, Hydroquinonesulfonic acid potassium salt, Potassium dobesilate, 2,5-dihydroxybenzenesulfonic acid potassium salt, Benzenesulfonic acid, 2,5-dihydroxy-, monopotassium salt, Potassium hydroquinonesulfonate
    Molecular Formula
    C6H5KO5S
    Molecular Weight
    228.27  g/mol
    InChI Key
    VKDSBABHIXQFKH-UHFFFAOYSA-M
    FDA UNII
    249E3F00EP
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    potassium;2,5-dihydroxybenzenesulfonate
    2.1.2 InChI
    InChI=1S/C6H6O5S.K/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);/q;+1/p-1
    2.1.3 InChI Key
    VKDSBABHIXQFKH-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[K+]
    2.2 Other Identifiers
    2.2.1 UNII
    249E3F00EP
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Potassium Dobesilate

    2.3.2 Depositor-Supplied Synonyms

    1. 21799-87-1

    2. Hydroquinonesulfonic Acid Potassium Salt

    3. Potassium Dobesilate

    4. 2,5-dihydroxybenzenesulfonic Acid Potassium Salt

    5. Benzenesulfonic Acid, 2,5-dihydroxy-, Monopotassium Salt

    6. Potassium Hydroquinonesulfonate

    7. Potassium;2,5-dihydroxybenzenesulfonate

    8. 249e3f00ep

    9. Benzenesulfonic Acid, 2,5-dihydroxy-, Potassium Salt (1:1)

    10. Smr000875261

    11. Mfcd00007475

    12. Khqs

    13. Potassium,2,5-dihydroxybenzenesulfonate

    14. Potassium 2,5-dihydroxybenzenesulphonate

    15. Hydroquinone Sulfonic Acid,potassium Salt

    16. Dsstox_cid_24410

    17. Dsstox_rid_80209

    18. Dsstox_gsid_44410

    19. Schembl78223

    20. Mls001333259

    21. Mls001333260

    22. Unii-249e3f00ep

    23. Chembl1707052

    24. Dtxsid8044410

    25. Amy8945

    26. Hms2234i14

    27. Waa79987

    28. Einecs 244-584-7

    29. Tox21_302096

    30. Akos015889677

    31. Ncgc00255728-01

    32. As-64019

    33. Cas-21799-87-1

    34. Db-045700

    35. Potassium 2,5-dihydroxybenzene-1-sulfonate

    36. Cs-0157160

    37. Ft-0625555

    38. H0593

    39. E76054

    40. A815671

    41. Hydroquinone Sulfonic Acid, Potassium Salt

    42. W-107519

    43. 2,5-dihydroxybenzenesulfonic Acid, Monopotassium Salt

    44. Q27253834

    45. Hydroquinonesulfonic Acid Potassium Salt, Technical Grade

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 228.27 g/mol
    Molecular Formula C6H5KO5S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass227.94947591 g/mol
    Monoisotopic Mass227.94947591 g/mol
    Topological Polar Surface Area106 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity246
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2