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Suanfarma Suanfarma

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

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    Quinacrine

    APIs // Active Pharmaceutical Ingredients

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    DIGITAL CONTENT

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Schembl15061349
    Molecular Formula
    C23H32Cl3N3O
    Molecular Weight
    472.9  g/mol
    InChI Key
    UDKVBVICMUEIKS-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(6-chloro-2-methoxyacridin-9-yl)azaniumyl]pentyl-diethylazanium;dichloride
    2.1.2 InChI
    InChI=1S/C23H30ClN3O.2ClH/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H
    2.1.3 InChI Key
    UDKVBVICMUEIKS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC[NH+](CC)CCCC(C)[NH2+]C1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.[Cl-].[Cl-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl15061349

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 472.9 g/mol
    Molecular Formula C23H32Cl3N3O
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count9
    Exact Mass471.161096 g/mol
    Monoisotopic Mass471.161096 g/mol
    Topological Polar Surface Area43.2 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity461
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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