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

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    Alrestatin Sodium

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    2D Structure
    1. Also known as: 51876-97-2, Alrestatin (sodium), Alrestatin sodium [usan], Ay-22284a, Ay-22,284a, 51876-97-2 (sodium)
    Molecular Formula
    C14H8NNaO4
    Molecular Weight
    277.21  g/mol
    InChI Key
    FKZUETPACPDEAD-UHFFFAOYSA-M
    FDA UNII
    018XNU6812
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate
    2.1.2 InChI
    InChI=1S/C14H9NO4.Na/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19;/h1-6H,7H2,(H,16,17);/q;+1/p-1
    2.1.3 InChI Key
    FKZUETPACPDEAD-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    018XNU6812
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 51876-97-2

    2. Alrestatin (sodium)

    3. Alrestatin Sodium [usan]

    4. Ay-22284a

    5. Ay-22,284a

    6. 51876-97-2 (sodium)

    7. 018xnu6812

    8. Alrestatin Sodium (usan)

    9. Ay 22284

    10. Sodium 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate

    11. Sodium 1,3-dioxo-1h-benz(de)isoquinoline-2(3h)-acetate

    12. 1h-benz(de)isoquinoline-2(3h)acetic Acid, 1,3-dioxo-, Sodium Salt

    13. Alrestatin Natrium

    14. Unii-018xnu6812

    15. Alrestatinsodium

    16. Chembl2106598

    17. Hy-b1202a

    18. Dtxsid10199838

    19. Alrestatin Sodium [mart.]

    20. Alrestatin Sodium [who-dd]

    21. 1,3-dioxo-1h-benz(de)isoquinoline-2(3h)-acetic Acid Sodium Salt

    22. Cs-4831

    23. D02835

    24. A912925

    25. Q23766531

    26. Sodium;2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate

    27. Sodium (1,3-dioxo-1h-benzo[de]isoquinolin-2(3h)-yl)acetate

    28. 1h-benz(de)isoquinoline-2(3h)-acetic Acid, 1,3-dioxo-, Sodium Salt

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 277.21 g/mol
    Molecular Formula C14H8NNaO4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass277.03510202 g/mol
    Monoisotopic Mass277.03510202 g/mol
    Topological Polar Surface Area77.5 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity409
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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