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    Technical details about UNII-66LQ48A9BT, learn more about the structure, uses, toxicity, action, side effects and more

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    UNII-66LQ48A9BT

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    2D Structure
    Also known as: 5997-53-5, 66lq48a9bt, Sodium;2-phenyl-3h-benzimidazole-5-sulfonate, 2-phenyl-1h-benzimidazole-5-sulfonic acid sodium salt, Sodium 2-phenyl-5-benzimidazolesulfonate, 1h-benzimidazole-5-sulfonic acid, 2-phenyl-, monosodium salt
    Molecular Formula
    C13H9N2NaO3S
    Molecular Weight
    296.28  g/mol
    InChI Key
    JNUBZSFXMKCDFD-UHFFFAOYSA-M
    FDA UNII
    66LQ48A9BT
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-phenyl-3H-benzimidazole-5-sulfonate
    2.1.2 InChI
    InChI=1S/C13H10N2O3S.Na/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;/h1-8H,(H,14,15)(H,16,17,18);/q;+1/p-1
    2.1.3 InChI Key
    JNUBZSFXMKCDFD-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    66LQ48A9BT
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5997-53-5

    2. 66lq48a9bt

    3. Sodium;2-phenyl-3h-benzimidazole-5-sulfonate

    4. 2-phenyl-1h-benzimidazole-5-sulfonic Acid Sodium Salt

    5. Sodium 2-phenyl-5-benzimidazolesulfonate

    6. 1h-benzimidazole-5-sulfonic Acid, 2-phenyl-, Monosodium Salt

    7. Phenylbenzimidazole Sulfonic Acid Sodium Salt

    8. 2-phenylbenzimidazole-5-sulfonic Acid Sodium Salt

    9. Sodium 2-phenyl-1h-benzo[d]imidazole-5-sulfonate

    10. 5(or 6)-benzimidazolesulfonic Acid, 2-phenyl-, Sodium Salt

    11. 1h-benzimidazole-6-sulfonic Acid, 2-phenyl-, Sodium Salt (1:1)

    12. Unii-66lq48a9bt

    13. Ensulizole Sodium Salt

    14. Schembl3173641

    15. Dtxsid601021879

    16. Ensulizole Sodium [who-dd]

    17. Ensulizole Sodium Salt [mi]

    18. Phenylbenzimidazole-5-sulfonate Sodium

    19. Phenylbenzimidazole-5-sulphonate Sodium

    20. 2-phenyl-5-benzimidazolsulfonate Sodium

    21. Sodium Phenylbenzimidazole Sulfonate [inci]

    22. Q27264002

    23. Sodium 2-phenyl-1h-benzylimidazole-5-sulfonate

    24. 2-phenyl-5-benzimidazolsulfonate Sodium [who-dd]

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 296.28 g/mol
    Molecular Formula C13H9N2NaO3S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass296.02315761 g/mol
    Monoisotopic Mass296.02315761 g/mol
    Topological Polar Surface Area94.3 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity420
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2