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    Indobufen

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

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    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 63610-08-2, Ibustrin, Indobufen [inn], K-3920, 2-[4-(3-oxo-1h-isoindol-2-yl)phenyl]butanoic acid, 6t9949g4lz
    Molecular Formula
    C18H17NO3
    Molecular Weight
    295.3  g/mol
    InChI Key
    AYDXAULLCROVIT-UHFFFAOYSA-N
    FDA UNII
    6T9949G4LZ
    Indobufen has been used in trials studying the supportive care and prevention of Atrial Fibrillation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
    2.1.2 InChI
    InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)
    2.1.3 InChI Key
    AYDXAULLCROVIT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    6T9949G4LZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(4-(1-oxo-2-isoindolinyl)phenyl)butyric Acid

    2. Ibustrin

    3. Indobufen, (+-)-isomer

    4. K 3920

    2.3.2 Depositor-Supplied Synonyms

    1. 63610-08-2

    2. Ibustrin

    3. Indobufen [inn]

    4. K-3920

    5. 2-[4-(3-oxo-1h-isoindol-2-yl)phenyl]butanoic Acid

    6. 6t9949g4lz

    7. Indobufen (inn)

    8. 2-(4-(1-oxoisoindolin-2-yl)phenyl)butanoic Acid

    9. Benzeneacetic Acid, 4-(1,3-dihydro-1-oxo-2h-isoindol-2-yl)-alpha-ethyl-

    10. (2s)-2-[4-(3-oxo-1h-isoindol-2-yl)phenyl]butanoic Acid

    11. Benzeneacetic Acid, 4-(1,3-dihydro-1-oxo-2h-isoindol-2-yl)-.alpha.-ethyl-

    12. K-2930

    13. Indobufene

    14. Indobufenum

    15. K 3920

    16. Indobufene [inn-french]

    17. Indobufenum [inn-latin]

    18. 2-(4-(1-oxo-2-isoindolinyl)phenyl)butyric Acid

    19. (+/-)-2-[p-(1-oxo-2-isoindolinyl)phenyl]butyric Acid

    20. Unii-6t9949g4lz

    21. (+/-)-2-(p-(1-oxo-2-isoindolinyl)phenyl)butyric Acid

    22. 36690-96-7

    23. Einecs 264-364-4

    24. (+/-)-indobufen

    25. Enamine_001568

    26. Indobufen [mi]

    27. Indobufen [mart.]

    28. Indobufen [who-dd]

    29. Dsstox_cid_31578

    30. Dsstox_rid_97463

    31. Dsstox_gsid_57789

    32. Oprea1_118499

    33. Schembl140517

    34. (+-)-2-(4-(1-oxo-2-isoindolinyl)phenyl)buttersaeure

    35. Chembl1765292

    36. Dtxsid7057789

    37. 1-oxo-2-(p-((alpha-ethyl)carboxymethyl)phenyl)isoindoline

    38. Chebi:135239

    39. (+-)-2-(4-(1,3-dihydro-1-oxo-2-isoindolyl)buttersaeure

    40. Hms1398h06

    41. Amy33419

    42. Bcp04485

    43. Tox21_113871

    44. Ac-672

    45. Mfcd00572250

    46. S5019

    47. 4-(1,3-dihydro-1-oxo-2h-isoindol-2-yl)-alpha-ethyl-benzeneacetic Acid

    48. Akos015917718

    49. Ccg-267421

    50. Db12545

    51. Ks-5220

    52. Sb66092

    53. Ncgc00253758-01

    54. Hy-18763

    55. Cas-63610-08-2

    56. Cs-0014291

    57. Ft-0616451

    58. D07141

    59. D70894

    60. 610i082

    61. A851741

    62. J-521529

    63. Q3798322

    64. (+-)-2-(p-(1-oxo-2-isoindolinyl)phenyl)butyric Acid

    65. 2-(4-(1-carboxypropyl)phenyl)-1-isoindolinone

    66. Butyric Acid, 2-(p-(1-oxo-2-isoindolinyl)phenyl)-, (+-)-

    67. 1-oxo-2-(p-((.alpha.-ethyl)carboxymethyl)phenyl)isoindoline

    68. 4-(1,3-dihydro-1-oxo-(2h)-isoindol-2-yl)-alpha-ethylbenzeneacetic Acid

    69. 4-(1,3-dihydro-1-oxo-2h-isoindol-2-yl)-.alpha.-ethylbenzeneacetic Acid

    70. Benzeneacetic Acid, 4-(1,3-dihydro-1-oxo-2h-isoindol-2-yl)-alpha-ethyl-, (+-)-

    71. Benzeneacetic Acid, 4-(1,3-dihydro-1-oxo-2h-isoindol-2-yl)-.alpha.-ethyl-, (+/-)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 295.3 g/mol
    Molecular Formula C18H17NO3
    XLogP33.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass295.12084340 g/mol
    Monoisotopic Mass295.12084340 g/mol
    Topological Polar Surface Area57.6 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity428
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Platelet Aggregation Inhibitors

    Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)

    Cyclooxygenase Inhibitors

    Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes. (See all compounds classified as Cyclooxygenase Inhibitors.)

    4.2 ATC Code

    B - Blood and blood forming organs

    B01 - Antithrombotic agents

    B01A - Antithrombotic agents

    B01AC - Platelet aggregation inhibitors excl. heparin

    B01AC10 - Indobufen