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    Butylphthalide

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 6066-49-5, 3-n-butylphthalide, 3-butylphthalide, N-butylphthalide, Phthalide, 3-butyl-, 1(3h)-isobenzofuranone, 3-butyl-
    Molecular Formula
    C12H14O2
    Molecular Weight
    190.24  g/mol
    InChI Key
    HJXMNVQARNZTEE-UHFFFAOYSA-N
    FDA UNII
    822Q956KGM
    isolated from phenolic part of Ligusticum wallichii Franch; structure given in first source
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-butyl-3H-2-benzofuran-1-one
    2.1.2 InChI
    InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
    2.1.3 InChI Key
    HJXMNVQARNZTEE-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    822Q956KGM
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-n-butylphthalide

    2. L-nbp Cpd

    3. Dl-3-n-butylphthalide

    4. N-butylphthalide

    2.3.2 Depositor-Supplied Synonyms

    1. 6066-49-5

    2. 3-n-butylphthalide

    3. 3-butylphthalide

    4. N-butylphthalide

    5. Phthalide, 3-butyl-

    6. 1(3h)-isobenzofuranone, 3-butyl-

    7. 3-butyl-1(3h)-isobenzofuranone

    8. Fema No. 3334

    9. 3-butyl-3h-2-benzofuran-1-one

    10. Dl-3-n-butylphthalide

    11. Dtxsid50863687

    12. 822q956kgm

    13. Butilftalida

    14. Butylphthalidum

    15. Refchem:30840

    16. Dtxcid70812273

    17. 228-000-8

    18. 3-butylisobenzofuran-1(3h)-one

    19. 3-n-butylphathlide

    20. Butylphthalide [inn]

    21. Mfcd01704513

    22. 3-butyl-3h-isobenzofuran-1-one

    23. (+/-)-3-butylphthalide

    24. 3-butyl-2-benzofuran-1(3h)-one

    25. 3-n-butylphthalide;3-butylphthalide

    26. (s)-3-butyl-1(3h)-isobenzofuranone

    27. 3-butyl-1,3-dihydro-2-benzofuran-1-one

    28. 3-butyl Phthalide

    29. Ccris 7107

    30. Einecs 228-000-8

    31. Unii-822q956kgm

    32. (+/-)-butylphthalide

    33. Dl-nbp

    34. Rac-3-n-butylphthalide

    35. Schembl716879

    36. Chembl248594

    37. Orb1302350

    38. Butylphthalide [who-dd]

    39. 3-butyl-3h-2-benzouran-1-one

    40. Chebi:177504

    41. Glxc-02779

    42. Hms3886b22

    43. Hms5086g19

    44. 3-n-butylphthalide [fhfi]

    45. Bcp30933

    46. Hy-b0647

    47. S9263

    48. Akos005362658

    49. Ccg-266504

    50. Cs-3609

    51. Db12749

    52. Fb73833

    53. 3-n-butylphthalide, >=98% (hplc)

    54. Ac-35096

    55. As-56990

    56. Da-69983

    57. Sy231947

    58. 3-butylphthalide Pound>>3-n-butylphthalide

    59. Ns00012065

    60. C17854

    61. 066b495

    62. F241348

    63. Q5003180

    64. Brd-a59378440-001-01-3

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 190.24 g/mol
    Molecular Formula C12H14O2
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area26.3
    Heavy Atom Count14
    Formal Charge0
    Complexity212
    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.

    Neuroprotective Agents

    Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.