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    Atebimetinib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Tel9243a3n, 2669009-92-9, Refchem:1077327, Atebimetinib [inn], Schembl25143927, Schembl31103740
    Molecular Formula
    C23H27FN4O6S
    Molecular Weight
    506.5  g/mol
    InChI Key
    VGDONWMTHHBKMZ-UHFFFAOYSA-N
    FDA UNII
    TEL9243A3N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [4-[(dimethylamino)methyl]-3-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
    2.1.2 InChI
    InChI=1S/C23H27FN4O6S/c1-25-35(31,32)26-19-8-6-7-14(21(19)24)11-17-18(13-27(2)3)16-10-9-15(33-23(30)28(4)5)12-20(16)34-22(17)29/h6-10,12,25-26H,11,13H2,1-5H3
    2.1.3 InChI Key
    VGDONWMTHHBKMZ-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    TEL9243A3N
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Tel9243a3n

    2. 2669009-92-9

    3. Refchem:1077327

    4. Atebimetinib [inn]

    5. Schembl25143927

    6. Schembl31103740

    7. Ex-a13927

    8. 4-[(dimethylamino)methyl]-3-({2-fluoro-3-[(methylsulfamoyl)amino]phenyl}methyl)-2-oxo-2h-1-benzopyran-7-yl Dimethylcarbamate

    9. 4-[(dimethylamino)methyl]-3-[[2-fluoro-3-[[(methylamino)sulfonyl]amino]phenyl]methyl]-2-oxo-2h-1-benzopyran-7-yl N,n-dimethylcarbamate

    10. Carbamic Acid, N,n-dimethyl-, 4-[(dimethylamino)methyl]-3-[[2-fluoro-3-[[(methylamino)sulfonyl]amino]phenyl]methyl]-2-oxo-2h-1-benzopyran-7-yl Ester

    2.4 Create Date
    2023-05-30
    3 Chemical and Physical Properties
    Molecular Weight 506.5 g/mol
    Molecular Formula C23H27FN4O6S
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count9
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area126
    Heavy Atom Count35
    Formal Charge0
    Complexity919
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1