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    CAS 446292-07-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 446292-07-5, 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1h-isoindole-1,3(2h)-dione, 2-[(2r)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione, 2-[(2r)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione, 1h-isoindole-1,3(2h)-dione,2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-, 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione
    Molecular Formula
    C21H21N3O5
    Molecular Weight
    395.4  g/mol
    InChI Key
    CKFVSMPWXAASIQ-MRXNPFEDSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione
    2.1.2 InChI
    InChI=1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m1/s1
    2.1.3 InChI Key
    CKFVSMPWXAASIQ-MRXNPFEDSA-N
    2.1.4 Canonical SMILES
    C1COCC(=O)N1C2=CC=C(C=C2)NCC(CN3C(=O)C4=CC=CC=C4C3=O)O
    2.1.5 Isomeric SMILES
    C1COCC(=O)N1C2=CC=C(C=C2)NC[C@H](CN3C(=O)C4=CC=CC=C4C3=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 446292-07-5

    2. 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1h-isoindole-1,3(2h)-dione

    3. 2-[(2r)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione

    4. 2-[(2r)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione

    5. 1h-isoindole-1,3(2h)-dione,2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-

    6. 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione

    7. Ec 610-200-5

    8. Schembl77318

    9. Amy4159

    10. Dtxsid10467923

    11. Bcp27211

    12. Cs-m0561

    13. Mfcd11977664

    14. Zinc65742968

    15. Akos016007842

    16. Ds-4456

    17. 2-((2r)-2-hydroxy-3-((4-(3-oxo-4-morpholinyl) Phenyl)amino)propyl)-1h-isoindole-1,3(2h)-dione

    18. Ac-25296

    19. F12082

    20. A854756

    21. (r)-2-(2-hydroxy-3-((4-(3-oxomorpholino)phenyl)-amino)propyl)isoindoline-1,3-dione

    22. (r)-2-(2-hydroxy-3-(4-(3-oxo-morpholino)phenylamino)propyl)isoindoline-1,3-dione

    23. (r)-2-(2-hydroxy-3-(4-(3-oxomorpholino)phenylamino)propyl)isoindoline-1,3-dione

    24. (r)-2-{2-hydroxy-3-[4-(3-oxo-morpholin-4-yl)-phenylamino]-propyl}-isoindole-1,3-dione

    25. 2-{(2r)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl}-1h-isoindole-1,3(2h)-dione

    26. 2-{2(r)-hydroxy-3-[4-(3-oxo-morpholin-4-yl)phenyl Amino]-propyl}-isoindole-1,3-dione

    27. (r)-2-(2-hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)isoindoline-1,3-dione; 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1h-isoindole-1,3(2h)-dione

    28. (r)-2-(2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione

    29. 1h-isoindole-1,3(2h)-dione, 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]

    30. 2((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-iso-indole-1,3(2h)-dione

    31. 2-((2r)-2-hydroxy-3-{ [4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione

    32. 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)-phenyl]amino}propyl)-1h-isoindole-1,3(2h)dione

    33. 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-iso-indole-1,3(2h)-dione

    34. 2-((2r)-2-hydroxy-3{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-iso-indole-1,3(2h)-dione

    35. 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]-amino]propyl]-1h-isoindole-1,3(2h)-dione

    36. 2-[(2r)-2-hydroxy-3-{[4(3-oxomorpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione

    37. 2-[(2r)-2-hydroxy-3-{[4-(3-oxo Morpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 395.4 g/mol
    Molecular Formula C21H21N3O5
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass395.14812078 g/mol
    Monoisotopic Mass395.14812078 g/mol
    Topological Polar Surface Area99.2 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity610
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1