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    Polmacoxib

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 301692-76-2, Cg100649, 4-(3-(3-fluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)benzenesulfonamide, Cg-100649, Ij34d6ypao, Cg 100649
    Molecular Formula
    C18H16FNO4S
    Molecular Weight
    361.4  g/mol
    InChI Key
    IJWPAFMIFNSIGD-UHFFFAOYSA-N
    FDA UNII
    IJ34D6YPAO
    Polmacoxib has been used in trials studying the treatment of Osteoarthritis, Osteoarthritis, Hip, Osteoarthritis, Knee, Localized Primary Osteoarthritis of Hip, and Localized Primary Osteoarthritis of Knee.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
    2.1.2 InChI
    InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)
    2.1.3 InChI Key
    IJWPAFMIFNSIGD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=CC=C3)F)C
    2.2 Other Identifiers
    2.2.1 UNII
    IJ34D6YPAO
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cg100649

    2.3.2 Depositor-Supplied Synonyms

    1. 301692-76-2

    2. Cg100649

    3. 4-(3-(3-fluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)benzenesulfonamide

    4. Cg-100649

    5. Ij34d6ypao

    6. Cg 100649

    7. 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide

    8. 4-(3-(3-fluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)-benzenesulfonamide

    9. 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide

    10. Benzenesulfonamide, 4-(3-(3-fluorophenyl)-4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl)-

    11. Polmacoxib [usan:inn]

    12. Unii-ij34d6ypao

    13. Polmacoxib [usan]

    14. Acelex (s. Korea)

    15. Polmacoxibcg100649

    16. Polmacoxib [inn]

    17. Polmacoxib (usan/inn)

    18. Polmacoxib [who-dd]

    19. Chembl166863

    20. Gtpl8316

    21. Schembl3233093

    22. Ex-a601

    23. Dtxsid901029389

    24. Zinc589683

    25. Bcp15550

    26. Bdbm50474760

    27. Akos025149767

    28. Db12399

    29. Sb17177

    30. Da-42861

    31. Hy-16726

    32. Cs-0012326

    33. Ft-0700281

    34. D10656

    35. A857030

    36. J-690277

    37. Q19598695

    38. Cg100649; Cg-100649; Cg 100649

    39. 2-(4-tert-butylphenyl)-1h-benzimidazole, 2-[4-(1,1-dimethylethyl)phenyl]-1h-benzimidazole

    40. 5-{4-(aminosulfonyl)phenyl}-2,2-dimethyl-4-(3-fluorophenyl)-3(2h)-furanone

    41. 1427301-99-2

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 361.4 g/mol
    Molecular Formula C18H16FNO4S
    XLogP32.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass361.07840733 g/mol
    Monoisotopic Mass361.07840733 g/mol
    Topological Polar Surface Area94.8 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity672
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    M - Musculo-skeletal system

    M01 - Antiinflammatory and antirheumatic products

    M01A - Antiinflammatory and antirheumatic products, non-steroids

    M01AH - Coxibs

    M01AH07 - Polmacoxib