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    Technical details about NCGC00024822-02, learn more about the structure, uses, toxicity, action, side effects and more

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    NCGC00024822-02

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as:
    Molecular Formula
    C34H24N6Na4O14S4
    Molecular Weight
    960.8  g/mol
    InChI Key
    KBNIFDASRCWYGC-KUDYKLHASA-J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tetrasodium;(6E)-4-amino-6-[[4-[4-[(2Z)-2-(8-amino-1-oxo-5,7-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonate
    2.1.2 InChI
    InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-23-,40-24+;;;;
    2.1.3 InChI Key
    KBNIFDASRCWYGC-KUDYKLHASA-J
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C=CC4=C(C3=O)C(=C(C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])N)C)NN=C5C=CC6=C(C5=O)C(=C(C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[Na+]
    2.1.5 Isomeric SMILES
    CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/N=C\3/C=CC4=C(C3=O)C(=C(C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])N)C)N/N=C/5\C=CC6=C(C5=O)C(=C(C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[Na+]
    2.2 Create Date
    2005-11-20
    3 Chemical and Physical Properties
    Molecular Weight 960.8 g/mol
    Molecular Formula C34H24N6Na4O14S4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count20
    Rotatable Bond Count5
    Exact Mass959.9824113 g/mol
    Monoisotopic Mass959.9824113 g/mol
    Topological Polar Surface Area397 Ų
    Heavy Atom Count62
    Formal Charge0
    Complexity2000
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5
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