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    Valiloxybate

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4-((l-valyl)oxy)butanoic acid, Xwl-008, Xw10172, 9b8nwp8k91, L-valine, 3-carboxypropyl ester, Xw-10172
    Molecular Formula
    C9H17NO4
    Molecular Weight
    203.24  g/mol
    InChI Key
    RMGPNQKZEPTAOC-QMMMGPOBSA-N
    FDA UNII
    9B8NWP8K91
    VALILOXYBATE is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 2 investigational indications.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid
    2.1.2 InChI
    InChI=1S/C9H17NO4/c1-6(2)8(10)9(13)14-5-3-4-7(11)12/h6,8H,3-5,10H2,1-2H3,(H,11,12)/t8-/m0/s1
    2.1.3 InChI Key
    RMGPNQKZEPTAOC-QMMMGPOBSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    9B8NWP8K91
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4-((l-valyl)oxy)butanoic Acid

    2. Xwl-008

    3. Xw10172

    4. 9b8nwp8k91

    5. L-valine, 3-carboxypropyl Ester

    6. Xw-10172

    7. Refchem:1100924

    8. Valiloxibic Acid

    9. 238401-16-6

    10. Valiloxybate [usan]

    11. Valiloxybate (usan)

    12. 4-[(2s)-2-amino-3-methylbutanoyl]oxybutanoic Acid

    13. Starbld0003028

    14. Valiloxybate [inn]

    15. Unii-9b8nwp8k91

    16. Orb1690933

    17. Schembl3730354

    18. Chembl5095201

    19. Who 11367

    20. Akos040757642

    21. Da-58947

    22. Ms-23099

    23. Hy-137429

    24. Cs-0138627

    25. D12240

    26. G18491

    27. 4-{[(2s)-2-amino-3-methylbutanoyl]oxy}butanoic Acid

    2.4 Create Date
    2011-12-04
    3 Chemical and Physical Properties
    Molecular Weight 203.24 g/mol
    Molecular Formula C9H17NO4
    XLogP3-1.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area89.6
    Heavy Atom Count14
    Formal Charge0
    Complexity203
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1