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    Chemistry

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    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
    Iguratimod is under investigation in Rheumatoid Arthritis.
    1 2D Structure

    Iguratimod

    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

    API SUPPLIERS

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    API Reference Price

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    05-Feb-2021
    28-Oct-2024
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