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    Chemistry

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    Also known as: 858344-36-2, 3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-[[(methylsulfonyl)oxy]methyl]-2-oxazolidinone, [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate, Linezolid related compound, Schembl14982833, Dtxsid90694795
    Molecular Formula
    C15H19FN2O6S
    Molecular Weight
    374.4  g/mol
    InChI Key
    UCVIKCGVGWBTTI-UHFFFAOYSA-N
    CAS 858344-36-2
    1 2D Structure

    CAS 858344-36-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
    2.1.2 InChI
    InChI=1S/C15H19FN2O6S/c1-25(20,21)23-10-12-9-18(15(19)24-12)11-2-3-14(13(16)8-11)17-4-6-22-7-5-17/h2-3,8,12H,4-7,9-10H2,1H3
    2.1.3 InChI Key
    UCVIKCGVGWBTTI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)OCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 858344-36-2

    2. 3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-[[(methylsulfonyl)oxy]methyl]-2-oxazolidinone

    3. [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl Methanesulfonate

    4. Linezolid Related Compound

    5. Schembl14982833

    6. Dtxsid90694795

    7. (3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methylmethanesulfonate

    8. Sb44372

    9. Db-064969

    10. Ft-0697826

    11. 344f362

    12. A914689

    13. Q-100864

    14. {3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl Methanesulfonate

    2.3 Create Date
    2011-10-30
    3 Chemical and Physical Properties
    Molecular Weight 374.4 g/mol
    Molecular Formula C15H19FN2O6S
    XLogP30.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass374.09478567 g/mol
    Monoisotopic Mass374.09478567 g/mol
    Topological Polar Surface Area93.8 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity577
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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