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    CAS 446292-08-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 446292-08-6, 2-[[(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1h-isoindole-1,3(2h)-dione, 2xrk8ybc47, Rivaroxaban impurity 9, 4-[4-[(5s)-5-phthalimidomethyl-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone, 2-[[(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
    Molecular Formula
    C22H19N3O6
    Molecular Weight
    421.4  g/mol
    InChI Key
    KUQNYAUTIWQAKY-MRXNPFEDSA-N
    FDA UNII
    2XRK8YBC47
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
    2.1.2 InChI
    InChI=1S/C22H19N3O6/c26-19-13-30-10-9-23(19)14-5-7-15(8-6-14)24-11-16(31-22(24)29)12-25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8,16H,9-13H2/t16-/m1/s1
    2.1.3 InChI Key
    KUQNYAUTIWQAKY-MRXNPFEDSA-N
    2.1.4 Canonical SMILES
    C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN4C(=O)C5=CC=CC=C5C4=O
    2.1.5 Isomeric SMILES
    C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN4C(=O)C5=CC=CC=C5C4=O
    2.2 Other Identifiers
    2.2.1 UNII
    2XRK8YBC47
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 446292-08-6

    2. 2-[[(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1h-isoindole-1,3(2h)-dione

    3. 2xrk8ybc47

    4. Rivaroxaban Impurity 9

    5. 4-[4-[(5s)-5-phthalimidomethyl-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone

    6. 2-[[(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

    7. 1h-isoindole-1,3(2h)-dione, 2-[[(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-

    8. 2-({(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1h-isoindole-1,3(2h)-dione

    9. 1h-isoindole-1,3(2h)-dione, 2-(((5s)-2-oxo-3-(4-(3-oxo-4-morpholinyl)phenyl)-5-oxazolidinyl)methyl)-

    10. 2-([(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1h-isoindole-1,3(2h)-dione

    11. 2-({(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1h-isoindole-1,3(2h)-dione

    12. Unii-2xrk8ybc47

    13. Ec 610-201-0

    14. Schembl78772

    15. Amy1795

    16. Dtxsid10470679

    17. Cs-m0563

    18. Mfcd11977665

    19. Zinc38253714

    20. Akos015999673

    21. 2-(((5s)-2-oxo-3-(4-(3-oxo-4-morpholinyl)phenyl)-1,3-oxazolidin-5-yl)methyl)-lh Isoindole-1,3(2h)-dione

    22. Ac-25868

    23. Ds-18301

    24. Rivaroxaban Impurity G [ep Impurity]

    25. A15574

    26. F11545

    27. (s)-2 ((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

    28. (s)-2((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

    29. (s)-2-((2-oxo-3-(4-(3-oxo-morpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

    30. (s)-2-((2-oxo-3-(4-(3-oxomorpholino)phenyl)-oxazolidin-5-yl)methyl)isoindoline-1,3-dione

    31. (r)-2-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione;(s)-2-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

    32. (s)-2-((2-oxo-3-(4-(3-oxomorpholino) Phenyl) Oxazolidin-5-yl)methyl)isoindoline-1,3-dione

    33. (s)-2-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1h-isoindole-1,3(2h)-dione

    34. 2-({(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1, 3-oxazolidin-5-yl}methyl)-1h-isoindole-1,3(2h)-dione

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 421.4 g/mol
    Molecular Formula C22H19N3O6
    XLogP31.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass421.12738533 g/mol
    Monoisotopic Mass421.12738533 g/mol
    Topological Polar Surface Area96.5 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity740
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1