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    Flosequinan

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 76568-02-0, Manoplax, Bts-49465, 7-fluoro-1-methyl-3-(methylsulfinyl)quinolin-4(1h)-one, 4(1h)-quinolinone, 7-fluoro-1-methyl-3-(methylsulfinyl)-, Bts 49 465
    Molecular Formula
    C11H10FNO2S
    Molecular Weight
    239.27  g/mol
    InChI Key
    UYGONJYYUKVHDD-UHFFFAOYSA-N
    FDA UNII
    6NB119DLU7
    Flosequinan was approved in the USA and the UK for a year prior to being withdrawn from the market due to increased mortality in chronic heart failure patients, found in drug trials.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-fluoro-1-methyl-3-methylsulfinylquinolin-4-one
    2.1.2 InChI
    InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
    2.1.3 InChI Key
    UYGONJYYUKVHDD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=C(C(=O)C2=C1C=C(C=C2)F)S(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    6NB119DLU7
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 7-fluoro-1-methyl-3-methylsulfinyl-4-quinoline

    2. Bts 49465

    3. Bts-49465

    2.3.2 Depositor-Supplied Synonyms

    1. 76568-02-0

    2. Manoplax

    3. Bts-49465

    4. 7-fluoro-1-methyl-3-(methylsulfinyl)quinolin-4(1h)-one

    5. 4(1h)-quinolinone, 7-fluoro-1-methyl-3-(methylsulfinyl)-

    6. Bts 49 465

    7. 6nb119dlu7

    8. Bts-49-465

    9. Ncgc00183849-01

    10. 7-fluoro-1-methyl-3-methylsulfinyl-4-quinolone

    11. 154504-94-6

    12. Flosequinanum [latin]

    13. Flosequinanum

    14. (s)-7-fluoro-1-methyl-3-(methylsulfinyl)quinolin-4(1h)-one

    15. Bts 49465

    16. Brn 5815383

    17. Unii-6nb119dlu7

    18. Flosequinan [usan:inn:ban]

    19. 7-fluoro-1-methyl-3-methylsulfinylquinolin-4-one

    20. 7-fluoro-1-methyl-3-(methylsulfinyl)-4(1h)-quinolone

    21. (+-)-7-fluoro-1-methyl-3-(methylsulfinyl)-4(1h)-quinolinone

    22. (r)-(+)-flosequinan

    23. (s)-(?)-flosequinan

    24. Flosequinan [mi]

    25. Flosequinan [inn]

    26. Flosequinan [jan]

    27. Flosequinan (usan/inn)

    28. Flosequinan [usan]

    29. Flosequinan [vandf]

    30. Dsstox_cid_28759

    31. Dsstox_rid_83028

    32. Flosequinan [mart.]

    33. 7-fluoro-1-methyl-3-methylsulphinyl-4-quinolone

    34. Dsstox_gsid_48833

    35. Flosequinan [who-dd]

    36. Schembl122877

    37. Chembl1908307

    38. Dtxsid1048833

    39. Chebi:134972

    40. Tox21_113315

    41. Akos000278656

    42. Db13228

    43. Fe-0065

    44. Cas-76568-02-0

    45. Db-056084

    46. Ft-0630845

    47. D04195

    48. Q592947

    2.4 Create Date
    2005-09-15
    3 Chemical and Physical Properties
    Molecular Weight 239.27 g/mol
    Molecular Formula C11H10FNO2S
    XLogP31.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass239.04162790 g/mol
    Monoisotopic Mass239.04162790 g/mol
    Topological Polar Surface Area56.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity369
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

    4.2 ATC Code

    C - Cardiovascular system

    C01 - Cardiac therapy

    C01D - Vasodilators used in cardiac diseases

    C01DB - Quinolone vasodilators

    C01DB01 - Flosequinan

    4.3 Metabolism/Metabolites

    Flosequinan has known human metabolites that include flosequinan sulfone.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560