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    Tasurgratinib Succinate

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Tasurgratinib succinate, Yrz52nf9y4, 1879965-80-6, 5-((2-(((4-(1-(2-hydroxyethyl)piperidin-4-yl)phenyl)carbonyl)amino)pyridin-4-yl)oxy)-6-(2-methoxyethoxy)-n-methyl-1h-indole-1-carboxamidesuccinate (1:1.5), Butanedioic acid;5-[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]pyridin-4-yl]oxy-6-(2-methoxyethoxy)-n-methylindole-1-carboxamide, E7090 succinate
    Molecular Formula
    C36H43N5O10
    Molecular Weight
    705.8  g/mol
    InChI Key
    DLFIYSXIMACKCX-UHFFFAOYSA-N
    FDA UNII
    YRZ52NF9Y4
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    butanedioic acid;5-[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]pyridin-4-yl]oxy-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide
    2.1.2 InChI
    InChI=1S/C32H37N5O6.C4H6O4/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38;5-3(6)1-2-4(7)8/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39);1-2H2,(H,5,6)(H,7,8)
    2.1.3 InChI Key
    DLFIYSXIMACKCX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC(=O)N1C=CC2=CC(=C(C=C21)OCCOC)OC3=CC(=NC=C3)NC(=O)C4=CC=C(C=C4)C5CCN(CC5)CCO.C(CC(=O)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    YRZ52NF9Y4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Tasurgratinib Succinate

    2. Yrz52nf9y4

    3. 1879965-80-6

    4. 5-((2-(((4-(1-(2-hydroxyethyl)piperidin-4-yl)phenyl)carbonyl)amino)pyridin-4-yl)oxy)-6-(2-methoxyethoxy)-n-methyl-1h-indole-1-carboxamidesuccinate (1:1.5)

    5. Butanedioic Acid;5-[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]pyridin-4-yl]oxy-6-(2-methoxyethoxy)-n-methylindole-1-carboxamide

    6. E7090 Succinate

    7. Schembl19019799

    2.4 Create Date
    2017-08-04
    3 Chemical and Physical Properties
    Molecular Weight 705.8 g/mol
    Molecular Formula C36H43N5O10
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count14
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area202
    Heavy Atom Count51
    Formal Charge0
    Complexity973
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2