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    Iguratimod

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    2D Structure
    Also known as: 123663-49-0, N-(7-(methylsulfonamido)-4-oxo-6-phenoxy-4h-chromen-3-yl)formamide, Careram, Kolbet, T-614, Iguratimod [inn]
    Molecular Formula
    C17H14N2O6S
    Molecular Weight
    374.4  g/mol
    InChI Key
    ANMATWQYLIFGOK-UHFFFAOYSA-N
    FDA UNII
    4IHY34Y2NV
    Iguratimod is under investigation in Rheumatoid Arthritis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[7-(methanesulfonamido)-4-oxo-6-phenoxychromen-3-yl]formamide
    2.1.2 InChI
    InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)
    2.1.3 InChI Key
    ANMATWQYLIFGOK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)NC1=C(C=C2C(=C1)OC=C(C2=O)NC=O)OC3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    4IHY34Y2NV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-formylamino-7-methylsulfonylamino-6-phenoxy-4h-1-benzopyran-4-one

    2. T 614

    3. T-614

    2.3.2 Depositor-Supplied Synonyms

    1. 123663-49-0

    2. N-(7-(methylsulfonamido)-4-oxo-6-phenoxy-4h-chromen-3-yl)formamide

    3. Careram

    4. Kolbet

    5. T-614

    6. Iguratimod [inn]

    7. Iremod

    8. 4ihy34y2nv

    9. 3-formylamino-7-methylsulfonylamino-6-phenoxy-4h-1-benzopyran-4-one

    10. Ncgc00181783-02

    11. T614

    12. N-[7-(methanesulfonamido)-4-oxo-6-phenoxychromen-3-yl]formamide

    13. N-[7-methanesulfonamido-4-oxo-6-(phenoxy)chromen-3-yl]formamide

    14. N-(7-((methylsulfonyl)amino)-4-oxo-6-phenoxy-4h-1-benzopyran-3-yl)formamide

    15. Unii-4ihy34y2nv

    16. Colvet

    17. T 614

    18. Iguratimod- Bio-x

    19. Iguratimod [mi]

    20. Iguratimod (jan/inn)

    21. Iguratimod [jan]

    22. Dsstox_cid_28897

    23. Dsstox_rid_83165

    24. Iguratimod [who-dd]

    25. Dsstox_gsid_48971

    26. Schembl26326

    27. Gtpl9736

    28. Chembl2107455

    29. Dtxsid0048971

    30. Iguratimod, >=98% (hplc)

    31. Chebi:31689

    32. Bcp04206

    33. Tox21_113422

    34. Bdbm50458537

    35. Mfcd00882374

    36. S5648

    37. Akos015888743

    38. Zinc100018451

    39. Ccg-268349

    40. Cs-0617

    41. Db12233

    42. Sb16814

    43. Ncgc00181783-01

    44. Ncgc00181783-03

    45. As-12959

    46. Bi164569

    47. Hy-17009

    48. A3484

    49. Cas-123663-49-0

    50. Ft-0654508

    51. I0945

    52. C71931

    53. D01146

    54. 663i490

    55. A805134

    56. Sr-01000945251

    57. J-521483

    58. Sr-01000945251-1

    59. Q13575264

    60. N-(3-formamido-4-oxo-6-phenoxy-4h-chromen-7-yl)methanesulfonamide

    61. N-[7-(methanesulfonamido)-4-oxo-6-phenoxy-4h-chromen-3-yl]formamide

    62. N-[7-(methanesulfonamido)-4-oxo-6-phenoxy-chromen-3-yl]formamide;iguratimod

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 374.4 g/mol
    Molecular Formula C17H14N2O6S
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass374.05725734 g/mol
    Monoisotopic Mass374.05725734 g/mol
    Topological Polar Surface Area119 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity665
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1