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    Chemistry

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    Also known as: 1638327-48-6, Shr-4640, Shr4640, Up8j9ca76i, 1-((6-bromo-4-quinolinyl)thio)cyclobutanecarboxylic acid, Cyclobutanecarboxylic acid, 1-((6-bromo-4-quinolinyl)thio)-
    Molecular Formula
    C14H12BrNO2S
    Molecular Weight
    338.22  g/mol
    InChI Key
    QGBWIYLNOBYNDL-UHFFFAOYSA-N
    FDA UNII
    UP8J9CA76I
    Ruzinurad
    SHR-4640 is a small molecule drug with a maximum clinical trial phase of III (across all indications) and has 3 investigational indications.
    1 2D Structure

    Ruzinurad

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(6-bromoquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
    2.1.2 InChI
    InChI=1S/C14H12BrNO2S/c15-9-2-3-11-10(8-9)12(4-7-16-11)19-14(13(17)18)5-1-6-14/h2-4,7-8H,1,5-6H2,(H,17,18)
    2.1.3 InChI Key
    QGBWIYLNOBYNDL-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    UP8J9CA76I
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Shr4640

    2.3.2 Depositor-Supplied Synonyms

    1. 1638327-48-6

    2. Shr-4640

    3. Shr4640

    4. Up8j9ca76i

    5. 1-((6-bromo-4-quinolinyl)thio)cyclobutanecarboxylic Acid

    6. Cyclobutanecarboxylic Acid, 1-((6-bromo-4-quinolinyl)thio)-

    7. Refchem:180385

    8. 1-((6-bromoquinolin-4-yl)thio)cyclobutane-1-carboxylic Acid

    9. Chembl3746329

    10. 1-(6-bromoquinolin-4-yl)sulfanylcyclobutane-1-carboxylic Acid

    11. Ruzinurad [inn]

    12. Unii-up8j9ca76i

    13. Orb1691557

    14. Schembl16247926

    15. Schembl30411665

    16. Dtxsid601358949

    17. Bdbm50134635

    18. Ex-a11346

    19. Akos040756957

    20. Hy-w052011

    21. Da-77595

    22. Ms-25138

    23. Cs-0044660

    24. D72706

    25. 1-((6-bromoquinolin-4-yl)thio)cyclobutanecarboxylic Acid

    26. 1-((6-bromoquinolin-4-yl)thio)cyclobutane-1-carboxylicacid

    27. 1-[(6-bromo-4-quinolyl)sulfanyl]cyclobutanecarboxylic Acid

    2.4 Create Date
    2014-12-29
    3 Chemical and Physical Properties
    Molecular Weight 338.22 g/mol
    Molecular Formula C14H12BrNO2S
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area75.5
    Heavy Atom Count19
    Formal Charge0
    Complexity361
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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