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    Contezolid Acefosamil

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Mrx-4 sodium, Contezolid acefosamil [usan], Contezolid acefosamil (sodium), 1807365-35-0, T79c086548, Contezolid acefosamil (usan)
    Molecular Formula
    C20H17F3N4NaO8P
    Molecular Weight
    552.3  g/mol
    InChI Key
    JANNTEAGZXJITO-BTQNPOSSSA-M
    FDA UNII
    T79C086548
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;acetyloxy-[1,2-oxazol-3-yl-[[(5R)-2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]phosphinate
    2.1.2 InChI
    InChI=1S/C20H18F3N4O8P.Na/c1-11(28)35-36(31,32)27(16-4-7-33-24-16)10-13-9-26(20(30)34-13)15-8-14(21)19(18(23)17(15)22)25-5-2-12(29)3-6-25;/h2,4-5,7-8,13H,3,6,9-10H2,1H3,(H,31,32);/q;+1/p-1/t13-;/m1./s1
    2.1.3 InChI Key
    JANNTEAGZXJITO-BTQNPOSSSA-M
    2.1.4 Canonical SMILES
    CC(=O)OP(=O)(N(CC1CN(C(=O)O1)C2=CC(=C(C(=C2F)F)N3CCC(=O)C=C3)F)C4=NOC=C4)[O-].[Na+]
    2.1.5 Isomeric SMILES
    CC(=O)OP(=O)(N(C[C@H]1CN(C(=O)O1)C2=CC(=C(C(=C2F)F)N3CCC(=O)C=C3)F)C4=NOC=C4)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    T79C086548
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Mrx-4 Sodium

    2. Contezolid Acefosamil [usan]

    3. Contezolid Acefosamil (sodium)

    4. 1807365-35-0

    5. T79c086548

    6. Contezolid Acefosamil (usan)

    7. Prodrug Of Contezolid (mrx-1)

    8. Acetic (5r)-isoxazol-3yl((2-oxo-3-(2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2h)-yl)phenyl)oxazolidin-5-yl)methyl)phosphoramidic Anhydride, Sodium Salt (1:1)

    9. Acetic Acid, Anhydride With N-(((5r)-3-(4-(3,4-dihydro-4-oxo-1(2h)-pyridinyl)-2,3,5-trifluorophenyl)-2-oxo-5-oxazolidinyl)methyl)-n-3-isoxazolylphosphoramidic Acid, Sodium Salt (1:1:1)

    10. Sodium;acetyloxy-[1,2-oxazol-3-yl-[[(5r)-2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]phosphinate

    11. Chembl3989966

    12. Unii-t79c086548

    13. Hy-19915b

    14. Cs-0138689

    15. D11298

    16. Sodium O-acetyl-(r)-isoxazol-3-yl((2-oxo-3-(2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2h)-yl)phenyl)oxazolidin-5-yl)methyl)phosphoramidate

    2.4 Create Date
    2017-11-19
    3 Chemical and Physical Properties
    Molecular Weight 552.3 g/mol
    Molecular Formula C20H17F3N4NaO8P
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count8
    Exact Mass552.06337928 g/mol
    Monoisotopic Mass552.06337928 g/mol
    Topological Polar Surface Area146 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity967
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2