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    Chemistry

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    Also known as:
    Molecular Formula
    C23H30Cl2N8O4
    Molecular Weight
    553.4  g/mol
    InChI Key
    STGQPVQAAFJJFX-UHFFFAOYSA-N
    Copanlisib
    1 2D Structure

    Copanlisib

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide;dihydrochloride
    2.1.2 InChI
    InChI=1S/C23H28N8O4.2ClH/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15;;/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32);2*1H
    2.1.3 InChI Key
    STGQPVQAAFJJFX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=CC2=C1N=C(N3C2=NCC3)NC(=O)C4=CN=C(N=C4)N)OCCCN5CCOCC5.Cl.Cl
    2.1.5 Isomeric SMILES
    COC1=C(C=CC2=C1N=C(N3C2=NCC3)NC(=O)C4=CN=C(N=C4)N)OCCCN5CCOCC5.Cl.Cl
    2.2 Create Date
    2012-11-12
    3 Chemical and Physical Properties
    Molecular Weight 553.4 g/mol
    Molecular Formula C23H30Cl2N8O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count8
    Exact Mass552.1767069 g/mol
    Monoisotopic Mass552.1767069 g/mol
    Topological Polar Surface Area140 A^2
    Heavy Atom Count37
    Formal Charge0
    Complexity796
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 1  
    Drug NameALIQOPA
    Active IngredientCOPANLISIB DIHYDROCHLORIDE
    CompanyBAYER HEALTHCARE (Application Number: N209936. Patents: 7511041, 8466283, 9636344)

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