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    Azetukalner

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    2D Structure
    Also known as: Encukalner, 1009344-33-5, Xen1101, 91wl7od122, Xen-1101, N-[4-(6-fluoro-3,4-dihydro-1h-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
    Molecular Formula
    C23H29FN2O
    Molecular Weight
    368.5  g/mol
    InChI Key
    FJNPZKZPWVVSON-UHFFFAOYSA-N
    FDA UNII
    91WL7OD122
    potassium channel opener with the same mechanism of action as retigabine
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
    2.1.2 InChI
    InChI=1S/C23H29FN2O/c1-15-10-20(11-16(2)22(15)25-21(27)13-23(3,4)5)26-9-8-17-12-19(24)7-6-18(17)14-26/h6-7,10-12H,8-9,13-14H2,1-5H3,(H,25,27)
    2.1.3 InChI Key
    FJNPZKZPWVVSON-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    91WL7OD122
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Xen1101

    2.3.2 Depositor-Supplied Synonyms

    1. Encukalner

    2. 1009344-33-5

    3. Xen1101

    4. 91wl7od122

    5. Xen-1101

    6. N-[4-(6-fluoro-3,4-dihydro-1h-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

    7. N-(4-(6-fluoro-3,4-dihydro-1h-isoquinolin-2-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide

    8. Refchem:136762

    9. Kcnq2/3 Activator-1

    10. Encukalner [inn]

    11. Unii-91wl7od122

    12. N-[4-(6-fluoro-3,4-dihydro-2(1h)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

    13. N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1h)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide

    14. N-[4-(6-fluoro-3,4-dihydroisoquinolin-2(1h)-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

    15. Azetukalner [inn]

    16. Azetukalner (usan/inn)

    17. Azetukalner [usan]

    18. Orb1298120

    19. Schembl1000065

    20. Chembl5095264

    21. Schembl30429530

    22. Gtpl12650

    23. Fjnpzkzpwvvson-uhfffaoysa-n

    24. Bdbm557819

    25. Glxc-26843

    26. Ex-a5508

    27. Vrx621698

    28. Akos040759801

    29. 1op2198

    30. Ms-25918

    31. Example 11 [wo2008024398a2]

    32. Db-188408

    33. Hy-139791

    34. Cs-0255455

    35. D12890

    36. H38826

    37. Us11365181, Compound B (wo2008/024398 A2)

    38. [4-(6-fluoro-3,4-dihydro-1h-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

    39. Butanamide, N-[4-(6-fluoro-3,4-dihydro-2(1h)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethyl-

    40. N-[4-(6-fluoro-3,4-dihydro-1h-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethyl Butanamide

    2.4 Create Date
    2008-03-10
    3 Chemical and Physical Properties
    Molecular Weight 368.5 g/mol
    Molecular Formula C23H29FN2O
    XLogP35.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area32.3
    Heavy Atom Count27
    Formal Charge0
    Complexity505
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1