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    Sivelestat Sodium Hydrate

    ACTIVE PHARMA INGREDIENTS

    GLOBAL SALES INFORMATION

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: Sivelestat sodium tetrahydrate, 201677-61-4, Sivelestat sodium hydrate, Elaspol, Ono-5046.na, Ly544349 sodium hydrate
    Molecular Formula
    C20H29N2NaO11S
    Molecular Weight
    528.5  g/mol
    InChI Key
    PLHREJBSQUSUCW-UHFFFAOYSA-M
    FDA UNII
    737RR8Y409
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate;tetrahydrate
    2.1.2 InChI
    InChI=1S/C20H22N2O7S.Na.4H2O/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;;;;;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);;4*1H2/q;+1;;;;/p-1
    2.1.3 InChI Key
    PLHREJBSQUSUCW-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].O.O.O.O.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    737RR8Y409
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-(2-(4-(2,2-dimethylpropionyloxy)phenylsulfonylamino)benzoyl)aminoacetic Acid

    2. Ono 5046

    3. Ono-5046

    4. Ono-ei-600

    5. Sivelestat

    2.3.2 Depositor-Supplied Synonyms

    1. Sivelestat Sodium Tetrahydrate

    2. 201677-61-4

    3. Sivelestat Sodium Hydrate

    4. Elaspol

    5. Ono-5046.na

    6. Ly544349 Sodium Hydrate

    7. Sivelestat (sodium Tetrahydrate)

    8. Sivelestat Sodium [usan]

    9. Ei-546

    10. Ono 5046

    11. Sivelestat Sodium (usan)

    12. Ono-5046 Sodium Hydrate

    13. Sivelestat Sodium Salt Tetrahydrate

    14. Ly-544349 Sodium Hydrate

    15. 737rr8y409

    16. Sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate;tetrahydrate

    17. Dsstox_cid_26727

    18. Dsstox_rid_81857

    19. Dsstox_gsid_46727

    20. Glycine, N-(2-(((4-(2,2-dimethyl-1-oxopropoxy)phenyl)sulfonyl)amino)benzoyl)-, Monosodium Salt, Tetrahydrate

    21. Sodium ((2-(((4-((2,2-dimethylpropanoyl)oxy)phenyl)sulfonyl)amino)benzoyl)amino)acetate Tetrahydrate

    22. Ono5046-na;sodium Sivelestat;ei546 Sodium;ly544349 Sodium

    23. Sodium Sivelestat

    24. Sodium 2-(2-(4-(pivaloyloxy)phenylsulfonamido)benzamido)acetate Tetrahydrate

    25. Ei546 Sodium Tetrahydrate;ly544349 Sodium Tetrahydrate;ono5046 Sodium Tetrahydrate

    26. Sodium,2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate,tetrahydrate

    27. Elaspol (tn)

    28. Ei546 Sodium

    29. Cas-201677-61-4

    30. Ly544349 Sodium

    31. Ncgc00167577-01

    32. Ono5046-na

    33. Unii-737rr8y409

    34. Sivelestatsodiumhydrate

    35. Elaspol Sodium Salt Tetrahydrate

    36. Chembl3182314

    37. Dtxsid0046727

    38. Chebi:32133

    39. Sivelestat (sodium Salt Hydrate)

    40. Sivelestat Sodium [mart.]

    41. Sivelestat Sodium Hydrate (jp17)

    42. Sivelestat Sodium [who-dd]

    43. Act02667

    44. Bcp09535

    45. Tox21_112570

    46. Hy-17443b

    47. S4666

    48. Akos015901086

    49. Akos015963357

    50. Tox21_112570_1

    51. Ac-1291

    52. Ccg-269903

    53. Cs-3380

    54. Sivelestat Sodium Hydrate [jan]

    55. Sivelestat Sodium For Injection (jp17)

    56. Ncgc00263570-01

    57. Ft-0748809

    58. D01918

    59. Sivelestat Sodium Salt Tetrahydrate [mi]

    60. A909240

    61. J-013081

    62. Q27266149

    63. Sodium ((2-(((4-((2,2-dimethylpropanoyl)oxy)phenyl)sulfonyl)amino)benzoyl)amino)acetate Tetrahydrate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 528.5 g/mol
    Molecular Formula C20H29N2NaO11S
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count9
    Exact Mass528.13897520 g/mol
    Monoisotopic Mass528.13897520 g/mol
    Topological Polar Surface Area154 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity738
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count6
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Serine Proteinase Inhibitors

    Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES. (See all compounds classified as Serine Proteinase Inhibitors.)