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    Technical details about Amidoquine, learn more about the structure, uses, toxicity, action, side effects and more

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    Amidoquine

    INTERMEDIATES

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    2D Structure
    1. Also known as: Amidochina, Amidochin, 8075-61-4, Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8alpha,9r)-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione and 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one
    Molecular Formula
    C41H52ClN9O5
    Molecular Weight
    786.4  g/mol
    InChI Key
    ODOPLLNPLYGBPQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;1,3,7-trimethylpurine-2,6-dione;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H24N2O2.C13H17N3O.C8H10N4O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;5-9H,1-4H3;4H,1-3H3;1H
    2.1.3 InChI Key
    ODOPLLNPLYGBPQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Amidochina

    2. Amidochin

    3. 8075-61-4

    4. Cinchonan-9-ol, 6'-methoxy-, Monohydrochloride, (8alpha,9r)-, Mixt. With 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione And 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 786.4 g/mol
    Molecular Formula C41H52ClN9O5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count6
    Exact Mass785.3779935 g/mol
    Monoisotopic Mass785.3779935 g/mol
    Topological Polar Surface Area131 Ų
    Heavy Atom Count56
    Formal Charge0
    Complexity1090
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4
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