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    Actinoquinol

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

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    2D Structure
    Also known as: 15301-40-3, 8-ethoxyquinoline-5-sulfonic acid, 8-ethoxy-5-quinolinesulfonic acid, 5-quinolinesulfonic acid, 8-ethoxy-, Actinoquinol [inn], 8-ethoxyquinoline-5-sulfonic acid hydrate
    Molecular Formula
    C11H11NO4S
    Molecular Weight
    253.28  g/mol
    InChI Key
    YAMVZYRZAMBCED-UHFFFAOYSA-N
    FDA UNII
    470VQE23O3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    8-ethoxyquinoline-5-sulfonic acid
    2.1.2 InChI
    InChI=1S/C11H11NO4S/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9/h3-7H,2H2,1H3,(H,13,14,15)
    2.1.3 InChI Key
    YAMVZYRZAMBCED-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=N2
    2.2 Other Identifiers
    2.2.1 UNII
    470VQE23O3
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 8-ethoxyquinoline-5-sulfonic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 15301-40-3

    2. 8-ethoxyquinoline-5-sulfonic Acid

    3. 8-ethoxy-5-quinolinesulfonic Acid

    4. 5-quinolinesulfonic Acid, 8-ethoxy-

    5. Actinoquinol [inn]

    6. 8-ethoxyquinoline-5-sulfonic Acid Hydrate

    7. Nsc-165584

    8. 470vqe23o3

    9. Ncgc00166018-01

    10. Actinochinolum

    11. Actinoquinolum

    12. 8-ethoxy-5-chinolinsulfonsaeure

    13. Actinoquinolum [inn-latin]

    14. Unii-470vqe23o3

    15. Einecs 239-334-9

    16. Nsc165584

    17. Starbld0009277

    18. Actinoquinol [mi]

    19. Dsstox_cid_26521

    20. Dsstox_rid_81687

    21. Dsstox_gsid_46521

    22. Actinoquinol [who-dd]

    23. Schembl555260

    24. Chembl1356732

    25. Dtxsid4046521

    26. Chebi:135031

    27. Zinc1645025

    28. Tox21_112289

    29. Mfcd00065059

    30. Akos024319094

    31. Nsc 165584

    32. As-61395

    33. Cas-15301-40-3

    34. Db-043172

    35. E0339

    36. Ft-0637212

    37. D90489

    38. Q15633953

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 253.28 g/mol
    Molecular Formula C11H11NO4S
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass253.04087901 g/mol
    Monoisotopic Mass253.04087901 g/mol
    Topological Polar Surface Area84.9 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity351
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1