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    Chemistry

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    Also known as: 202825-46-5, Safinamide mesilate, (s)-2-((4-((3-fluorobenzyl)oxy)benzyl)amino)propanamide methanesulfonate, Pnu-151774e, Nw-1015, Safinamide (mesylate)
    Molecular Formula
    C18H23FN2O5S
    Molecular Weight
    398.5  g/mol
    InChI Key
    YKOCHIUQOBQIAC-YDALLXLXSA-N
    FDA UNII
    YS90V3DTX0
    Safinamide Mesylate
    1 2D Structure

    Safinamide Mesylate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C17H19FN2O2.CH4O3S/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14;1-5(2,3)4/h2-9,12,20H,10-11H2,1H3,(H2,19,21);1H3,(H,2,3,4)/t12-;/m0./s1
    2.1.3 InChI Key
    YKOCHIUQOBQIAC-YDALLXLXSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F.CS(=O)(=O)O
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F.CS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    YS90V3DTX0
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (s)-2-((4-(3-fluorobenzoxy)benzyl)amino)propanamide

    2. 2-(4-(3-fluorobenzyloxy)benzylamino)propionamide

    3. Fbap Methanesulfonate

    4. Fce 26743

    5. Fce 28073

    6. Fce-26743

    7. Fce-28073

    8. Nw-1015

    9. Pnu 151774e

    10. Pnu-151774e

    11. Safinamide

    12. Safinamide Methanesulfonate

    13. Xadago

    2.3.2 Depositor-Supplied Synonyms

    1. 202825-46-5

    2. Safinamide Mesilate

    3. (s)-2-((4-((3-fluorobenzyl)oxy)benzyl)amino)propanamide Methanesulfonate

    4. Pnu-151774e

    5. Nw-1015

    6. Safinamide (mesylate)

    7. Safinamide Methanesulfonate

    8. Pnu 151774e

    9. Safinamide Mesylate [usan]

    10. Fce-28073

    11. Nw 1015

    12. Safinamide Methansulfonate

    13. Ys90v3dtx0

    14. Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2s)-, Methanesulfonate (1:1)

    15. 202825-46-5 (mesylate)

    16. Safinamide Mesilate (jan)

    17. Safinamide Mesylate (usan)

    18. Safinamide Mesilate [jan]

    19. (s)-2-((4-((3-fluorobenzyl)oxy)benzyl)-amino)propanamide Methanesulfonate

    20. Chembl48582

    21. (s)-2-[[4-[(3-fluorobenzyl)oxy]benzyl]amino]propanamide Methanesulfonate

    22. Unii-ys90v3dtx0

    23. Fce-28073(r-isomer)

    24. Safinamidemesylate

    25. Equfina (tn)

    26. Xadago (tn)

    27. Safinamide Mesylate Salt

    28. Emd 1195686 Mesylate

    29. Mls006010740

    30. Schembl1665715

    31. Dtxsid80942414

    32. Hms3884o17

    33. Safinamide Mesylate (fce28073)

    34. Amy38833

    35. Bcp16018

    36. Ex-a2640

    37. Hy-70057a

    38. Mfcd15145475

    39. S1472

    40. Safinamide Mesilate [who-dd]

    41. Akos015902297

    42. Ccg-268636

    43. Safinamide Methanesulfonate [mi]

    44. Safinamide Mesylate [orange Book]

    45. Ac-27739

    46. As-75602

    47. Pnu-151774e,fce28073

    48. Smr004701699

    49. Safinamide Mesylate Salt, >=98% (hplc)

    50. Cs-0006742

    51. Sw219452-1

    52. D10191

    53. J-013174

    54. Q27294690

    55. (s)-2[4-(3-fluorobenzyloxy)benzylamino]propanamide Methanesulfonate

    56. (s)-(+)-2-(4-(3-fluorobenzyloxy) Benzylamino)propanamide, Methanesulfonate

    57. (s)-2-((4-((3-fluorobenzyl)oxy)benzyl)amino)propanamidemethanesulfonate

    58. (s)-2-[4-(3-fluorobenzyloxy)benzylamino]propanamide Methanesulfonate

    59. (2s)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic Acid

    60. Propanamide, 2-(((4-((3-fluorophenyl)methoxy)phenyl)methyl)amino)-, (s)-, Monomethanesulfonate

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 398.5 g/mol
    Molecular Formula C18H23FN2O5S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass398.13117117 g/mol
    Monoisotopic Mass398.13117117 g/mol
    Topological Polar Surface Area127 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity438
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Xadago is indicated for the treatment of adult patients with idiopathic Parkinsons disease (PD) as add-on therapy to a stable dose of Levodopa (L-dopa) alone or in combination with other PD medicinal products in mid-to late-stage fluctuating patients.

    5 Pharmacology and Biochemistry
    5.1 FDA Pharmacological Classification
    5.1.1 Pharmacological Classes
    Monoamine Oxidase Type B Inhibitor [EPC]; Monoamine Oxidase-B Inhibitors [MoA]; Breast Cancer Resistance Protein Inhibitors [MoA]
    5.2 ATC Code

    N04B

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    11-Feb-2021
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