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    Lucerastat

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    DIGITAL CONTENT

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    2D Structure
    Also known as: 141206-42-0, (2r,3s,4r,5s)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol, N-(n-butyl)deoxygalactonojirimycin, Lucerastat [inn], Lucerastat [usan], Act-434964
    Molecular Formula
    C10H21NO4
    Molecular Weight
    219.28  g/mol
    InChI Key
    UQRORFVVSGFNRO-XFWSIPNHSA-N
    FDA UNII
    GVS3YDM418
    Lucerastat is under investigation in clinical trial NCT03425539 (Efficacy and Safety of Lucerastat Oral Monotherapy in Adult Subjects With Fabry Disease).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1
    2.1.3 InChI Key
    UQRORFVVSGFNRO-XFWSIPNHSA-N
    2.1.4 Canonical SMILES
    CCCCN1CC(C(C(C1CO)O)O)O
    2.1.5 Isomeric SMILES
    CCCCN1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    GVS3YDM418
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-butyl-2-(hydroxylmethyl)piperidine-3,4,5-triol

    2. 1-deoxy-galactonojirimycin

    3. 1-deoxygalacto-nojirimycin

    4. 1-deoxygalactonojirimycin

    5. At1001 Deoxyjirimycin

    6. Galafold

    7. Gr181413a

    8. Migalastat

    9. Migalastat Hcl

    10. Migalastat Hydrochloride

    11. N-butyldeoxygalacto-nojirimycin

    12. N-butyldeoxygalactonojirimycin

    13. Nb-dgj

    2.3.2 Depositor-Supplied Synonyms

    1. 141206-42-0

    2. (2r,3s,4r,5s)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol

    3. N-(n-butyl)deoxygalactonojirimycin

    4. Lucerastat [inn]

    5. Lucerastat [usan]

    6. Act-434964

    7. Gvs3ydm418

    8. Chembl1086997

    9. N-butyldeoxygalactonojirimycin

    10. N-butyl-dgj

    11. Unii-gvs3ydm418

    12. Nbdgj

    13. N-bu-dgj

    14. Nb-dgj

    15. Lucerastat [jan]

    16. Lucerastat [usan:inn]

    17. Lucerastat (jan/usan/inn)

    18. N- Butyldeoxygalactonojirimycin

    19. Schembl6821044

    20. N-butyl-deoxy-galactonojirimycin

    21. Cdp-923

    22. Dtxsid60161601

    23. N-n-butyl Deoxygalactonojirimycin

    24. Ogt-923

    25. Who 9539

    26. Bdbm50312528

    27. Mfcd00269939

    28. Zinc13719785

    29. N-butyl-d-galacto-1-deoxynojirimycin

    30. Db14872

    31. Ncgc00181326-01

    32. Hy-106392

    33. Cs-0025710

    34. D11439

    35. 1-butyl-2-hydroxymethyl-piperidine-3,4,5-triol

    36. W-201205

    37. Q27279309

    38. (2r,3s,4r,5s)-1-butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol

    39. (2r,3s,4r,5s)-1-(but-1-yl)-2-(hydroxymethyl)piperidine-3,4,5-triol

    40. 3,4,5-piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2r,3s,4r,5s)-

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 219.28 g/mol
    Molecular Formula C10H21NO4
    XLogP3-0.6
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass219.14705815 g/mol
    Monoisotopic Mass219.14705815 g/mol
    Topological Polar Surface Area84.2 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity190
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of Fabry disease