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    Quinax

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: Phacolysine, Phacolysin, 3863-80-7, Jing ming, Phacolysine sodium salt, Sodium 5,12-dihydroazapentacene disulfonate
    Molecular Formula
    C18H10N4Na2O6S2
    Molecular Weight
    488.4  g/mol
    InChI Key
    SZGZILRQIYNODJ-UHFFFAOYSA-L
    FDA UNII
    58B6F1X64H
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;7,12-dihydroquinoxalino[3,2-b]phenazine-2,9-disulfonate
    2.1.2 InChI
    InChI=1S/C18H12N4O6S2.2Na/c23-29(24,25)9-1-3-11-13(5-9)21-17-8-16-18(7-15(17)19-11)22-14-6-10(30(26,27)28)2-4-12(14)20-16;;/h1-8,19,21H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2
    2.1.3 InChI Key
    SZGZILRQIYNODJ-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1S(=O)(=O)[O-])NC3=C(N2)C=C4C(=C3)N=C5C=CC(=CC5=N4)S(=O)(=O)[O-].[Na+].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    58B6F1X64H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5,12-dihydroazapentacene Sodium Disulfonate

    2. Azapentacene

    2.3.2 Depositor-Supplied Synonyms

    1. Phacolysine

    2. Phacolysin

    3. 3863-80-7

    4. Jing Ming

    5. Phacolysine Sodium Salt

    6. Sodium 5,12-dihydroazapentacene Disulfonate

    7. Azapentacene Sulfonate Sodium

    8. 58b6f1x64h

    9. Sodium 5,12-dihydroquinoxalino[2,3-b]phenazine-2,9-disulfonate

    10. Quinoxalino(2,3-b)phenazine, 5,12-dihydro-, Sulfonate, Sodium Salt (1:2:2)

    11. 77883-76-2

    12. Phacolin

    13. Sodium 5,14-dihydroquinoxalino[2,3-b]phenazine-2,9-disulfonate

    14. Unii-58b6f1x64h

    15. Azapentacene Polysulfonate

    16. Azapentacen [who-dd]

    17. Dtxsid90959472

    18. Disodium 5,14-dihydroquinoxalino[2,3-b]phenazine-2,9-disulfonate

    19. Disodium;7,12-dihydroquinoxalino[3,2-b]phenazine-2,9-disulfonate

    20. Akos015951394

    21. Akos015961917

    22. Ac-1537

    23. Azapentacene Disulfonate Disodium

    24. Azapentacene Polysulfonate Sodium

    25. Ft-0673662

    26. Azapentacene Polysulfonate Sodium [who-dd]

    27. Q9257738

    28. Q27261582

    29. Quinoxalino(2,3-b)phenazine-2,9-disulfonic Acid, 5,12-dihydro-, Disodium Salt

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 488.4 g/mol
    Molecular Formula C18H10N4Na2O6S2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count0
    Exact Mass487.98371496 g/mol
    Monoisotopic Mass487.98371496 g/mol
    Topological Polar Surface Area181 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity845
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3