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    Pyrroloquinoline Quinone Disodium

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 122628-50-6, Methoxatin disodium salt, Methoxatin disodium, Pyrroloquinoline quinone disodium salt, Disodium;2-carboxy-4,5-dioxo-1h-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate, Pyrroloquinoline quinone disodium
    Molecular Formula
    C14H4N2Na2O8
    Molecular Weight
    374.17  g/mol
    InChI Key
    UFVBOGYDCJNLPM-UHFFFAOYSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate
    2.1.2 InChI
    InChI=1S/C14H6N2O8.2Na/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18;;/h1-2,15H,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2
    2.1.3 InChI Key
    UFVBOGYDCJNLPM-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 122628-50-6

    2. Methoxatin Disodium Salt

    3. Methoxatin Disodium

    4. Pyrroloquinoline Quinone Disodium Salt

    5. Disodium;2-carboxy-4,5-dioxo-1h-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate

    6. Pyrroloquinoline Quinone Disodium

    7. Disodium Pyrroloquinolinedione Tricarboxylate

    8. 1h-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic Acid, 4,5-dihydro-4,5-dioxo-, Disodium Salt

    9. 8wx58adb2e

    10. Pyrroloquinolinequinone Disodium Salt

    11. Pqq

    12. Unii-8wx58adb2e

    13. Methoxatin (disodium Salt)

    14. Schembl16277415

    15. Dtxsid10924223

    16. Bcp16823

    17. Mfcd00151711

    18. Akos037647712

    19. Ccg-268344

    20. Ft-0690199

    21. C71852

    22. A927467

    23. J-004837

    24. Disodium 2-carboxy-4,5-dioxo-4,5-dihydro-1h-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate

    25. Sodium 2-carboxy-4,5-dioxo-4,5-dihydro-1h-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate

    26. Sodium 9-carboxy-4,5-dioxo-4,5-dihydro-1h-pyrrolo[2,3-f]quinoline-2,7-dicarboxylate

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 374.17 g/mol
    Molecular Formula C14H4N2Na2O8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count1
    Exact Mass373.97630365 g/mol
    Monoisotopic Mass373.97630365 g/mol
    Topological Polar Surface Area180 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity636
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3