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    Oglemilast

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 778576-62-8, N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methylsulfonamido)dibenzo[b,d]furan-1-carboxamide, Oglemilast [inn], 67gxq6wcc6, N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide, Grc 3845
    Molecular Formula
    C20H13Cl2F2N3O5S
    Molecular Weight
    516.3  g/mol
    InChI Key
    OKFDRAHPFKMAJH-UHFFFAOYSA-N
    FDA UNII
    67GXQ6WCC6
    Oglemilast has been investigated for the treatment of Pulmonary Disease, Chronic Obstructive.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide
    2.1.2 InChI
    InChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)
    2.1.3 InChI Key
    OKFDRAHPFKMAJH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)NC1=CC2=C(C=C1)OC3=C(C=CC(=C23)C(=O)NC4=C(C=NC=C4Cl)Cl)OC(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    67GXQ6WCC6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Grc 3886

    2. Grc-3886

    3. Grc3886

    2.3.2 Depositor-Supplied Synonyms

    1. 778576-62-8

    2. N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methylsulfonamido)dibenzo[b,d]furan-1-carboxamide

    3. Oglemilast [inn]

    4. 67gxq6wcc6

    5. N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide

    6. Grc 3845

    7. Grc 3886

    8. Unii-67gxq6wcc6

    9. Grc-3886

    10. Oglemilast [who-dd]

    11. Schembl220245

    12. Chembl4297520

    13. Dtxsid70999058

    14. Grc3886

    15. Bcp21392

    16. Zinc72266998

    17. Cs-0844

    18. Db12375

    19. Ncgc00379066-01

    20. Hy-15178

    21. Grc 3886;grc-3886;grc3886

    22. A853039

    23. Q27264129

    24. 4-difluoromethoxy-8-methanesulfonylamino-dibenzofuran-1-carboxylic Acid (3,5-dichloro-pyridin-4-yl)-amide

    25. N-(3,5-dichloropyridin-4(1h)-ylidene)-4-(difluoromethoxy)-8-[(methanesulfonyl)amino]dibenzo[b,d]furan-1-carboxamide

    26. N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-((methylsulfonyl)amino)dibenzo(b,d)furan-1-carboxamide

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 516.3 g/mol
    Molecular Formula C20H13Cl2F2N3O5S
    XLogP34.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count6
    Exact Mass514.9921034 g/mol
    Monoisotopic Mass514.9921034 g/mol
    Topological Polar Surface Area119 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity810
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1