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    Mobocertinib Succinate

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    Mobocertinib

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    2D Structure
    Also known as: 2389149-74-8, Mobocertinib (succinate), Tak-788 succinate, Ap32788 succinate, Ap-32788 succinate, 53qia92zee
    Molecular Formula
    C36H45N7O8
    Molecular Weight
    703.8  g/mol
    InChI Key
    YXYAEUMTJQGKHS-UHFFFAOYSA-N
    FDA UNII
    53QIA92ZEE
    MOBOCERTINIB SUCCINATE is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 2021 and is indicated for non-small cell lung carcinoma. This drug has a black box warning from the FDA.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    butanedioic acid;propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
    2.1.2 InChI
    InChI=1S/C32H39N7O4.C4H6O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26;5-3(6)1-2-4(7)8/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36);1-2H2,(H,5,6)(H,7,8)
    2.1.3 InChI Key
    YXYAEUMTJQGKHS-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    53QIA92ZEE
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2389149-74-8

    2. Mobocertinib (succinate)

    3. Tak-788 Succinate

    4. Ap32788 Succinate

    5. Ap-32788 Succinate

    6. 53qia92zee

    7. Unii-53qia92zee

    8. Exkivity

    9. Propan-2-yl 2-(5-(acryloylamino)-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyanilino)-4-(1-methyl-1h-indol-3-yl)pyrimidine-5-carboxylate Succinate

    10. Mobocertinib Succinate (jan)

    11. Mobocertinib Succinate [jan]

    12. Butanedioic Acid;propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate

    13. 788succinic Acid

    14. Exkivity (tn)

    15. Tak788 Succinate

    16. Tak 788 Succinate

    17. Ap 32788 Succinate

    18. Mobocertinib (succinate)?

    19. Chembl4802239

    20. Schembl25406916

    21. Wlz3772

    22. Glxc-25145

    23. Bcp33315

    24. Ex-a3982

    25. At30194

    26. Hy-135815a

    27. Mobocertinib Succinate [who-dd]

    28. Da-65572

    29. Ms-31177

    30. Tak-788 Succinate; Ap32788 Succinate

    31. Mobocertinib Succinate [orange Book]

    32. Cs-0114257

    33. D11969

    34. Isopropyl 2-((5-acrylamido-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyphenyl)amino)-4-(1-methyl-1h-indol-3-yl)pyrimidine-5-carboxylate Succinic Acid

    35. Propan-2-yl 2-(4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxy-5-(prop-2-enamido)anilino)-4-(1-methyl-1h-indol-3-yl)pyrimidine-5-carboxylate Monosuccinate

    36. Propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate Succinate

    37. Tak-788 Succinate; Ap32788 Succinate;tak 788 Succinate; Ap 32788 Succinate;tak788 Succinate; Ap-32788 Succinate

    2.4 Create Date
    2020-04-30
    3 Chemical and Physical Properties
    Molecular Weight 703.8 g/mol
    Molecular Formula C36H45N7O8
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count16
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area188
    Heavy Atom Count51
    Formal Charge0
    Complexity1030
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2