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    Aumolertinib Mesylate

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Ameile, Aumolertinib mesylate, Almonertinib (mesylate), Hs-10296 mesylate, Rz6i9wx68u, Hs-10296 methanesulfonate
    Molecular Formula
    C31H39N7O5S
    Molecular Weight
    621.8  g/mol
    InChI Key
    WTEXJDGTVUQRQY-UHFFFAOYSA-N
    FDA UNII
    RZ6I9WX68U
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C30H35N7O2.CH4O3S/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26;1-5(2,3)4/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34);1H3,(H,2,3,4)
    2.1.3 InChI Key
    WTEXJDGTVUQRQY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C5CC5)OC.CS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    RZ6I9WX68U
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Ameile

    2. Aumolertinib Mesylate

    3. Almonertinib (mesylate)

    4. Hs-10296 Mesylate

    5. Rz6i9wx68u

    6. Hs-10296 Methanesulfonate

    7. Aumolertinib Mesylate [usan]

    8. 2134096-06-1

    9. 2-propenamide, N-(5-((4-(1-cyclopropyl-1h-indol-3-yl)-2-pyrimidinyl)amino)-2-((2-(dimethylamino)ethyl)methylamino)-4-methoxyphenyl)-, Compd. With Methanesulfonate (1:1)

    10. N-(5-((4-(1-cyclopropyl-1h-indol-3-yl)pyrimidin-2-yl)amino)-2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxyphenyl)acrylamide Methanesulfonate

    11. Eq143 Mesylate

    12. Eq-143 Mesylate

    13. Unii-rz6i9wx68u

    14. Almonertinib Mesilate [who-dd]

    15. Ex-a6602

    16. Hy-112823a

    17. Cs-0066156

    2.4 Create Date
    2021-12-16
    3 Chemical and Physical Properties
    Molecular Weight 621.8 g/mol
    Molecular Formula C31H39N7O5S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count11
    Exact Mass621.27333854 g/mol
    Monoisotopic Mass621.27333854 g/mol
    Topological Polar Surface Area150 Ų
    Heavy Atom Count44
    Formal Charge0
    Complexity916
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2