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    Pirenoxine Sodium

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 51410-30-1, Catalin sodium, Pirenoxine sodium salt, Sodium 1-hydroxy-5-oxo-5h-pyrido[3,2-a]phenoxazine-3-carboxylate, 95ju7urf64, Sodium;1,5-dioxo-4h-pyrido[3,2-a]phenoxazine-3-carboxylate
    Molecular Formula
    C16H7N2NaO5
    Molecular Weight
    330.23  g/mol
    InChI Key
    HDQXPMXHXZNPKE-UHFFFAOYSA-M
    FDA UNII
    95JU7URF64
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylate
    2.1.2 InChI
    InChI=1S/C16H8N2O5.Na/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12;/h1-6H,(H,18,19)(H,21,22);/q;+1/p-1
    2.1.3 InChI Key
    HDQXPMXHXZNPKE-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)N=C3C(=CC(=O)C4=C3C(=O)C=C(N4)C(=O)[O-])O2.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    95JU7URF64
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 51410-30-1

    2. Catalin Sodium

    3. Pirenoxine Sodium Salt

    4. Sodium 1-hydroxy-5-oxo-5h-pyrido[3,2-a]phenoxazine-3-carboxylate

    5. 95ju7urf64

    6. Sodium;1,5-dioxo-4h-pyrido[3,2-a]phenoxazine-3-carboxylate

    7. 5h-pyrido(3,2-a)phenoxazine-3-carboxylic Acid, 1-hydroxy-5-oxo-, Monosodium Salt

    8. Sodium 1-hydroxy-5-oxo-5h-pyrido(3,2-a)phenoxazine-3-carboxylate

    9. Clarvisan (tn)

    10. Ncgc00167452-01

    11. Einecs 257-181-6

    12. Unii-95ju7urf64

    13. Pirfenoxone Sodium

    14. 1-hydroxy-5-oxo-5h-pyrido(3,2-a)phenoxazine-3-carboxylic Acid Sodium Salt

    15. Dsstox_cid_26637

    16. Dsstox_rid_81783

    17. Dsstox_gsid_46637

    18. Pirfenoxone Sodium Salt

    19. Schembl1650064

    20. Chembl2359957

    21. Dtxsid1046637

    22. Schembl11579562

    23. Pirenoxine Sodium [mart.]

    24. Pirenoxine Sodium [who-dd]

    25. Bcp12124

    26. Pirenoxine Sodium Salt [mi]

    27. Tox21_112456

    28. Akos015951393

    29. Cas-51410-30-1

    30. D08388

    31. W-105897

    32. Q27271800

    33. (5-methyl-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol

    34. Sodium 1,5-dioxo-1,5-dihydro-4h-pyrido[3,2-a]phenoxazine-3-carboxylate

    35. Sodium 1-hydroxy-5-oxo-5h-pyrido(3,2-a)(phenoxazine-3-carboxylate

    36. 5h-pyrido(3,2-a)phenoxazine-3-carboxylic Acid, 1-hydroxy-5-oxo-, Sodium Salt (1:1)

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 330.23 g/mol
    Molecular Formula C16H7N2NaO5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count1
    Exact Mass330.02526561 g/mol
    Monoisotopic Mass330.02526561 g/mol
    Topological Polar Surface Area108 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity777
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2