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    Chemistry

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    Also known as: 64622-45-3, Pimeprofen, Staderm, Ibuprofenpiconol, Vesicum, 112017-99-9
    Molecular Formula
    C19H23NO2
    Molecular Weight
    297.4  g/mol
    InChI Key
    ACEWLPOYLGNNHV-UHFFFAOYSA-N
    FDA UNII
    B0F91K5U4N
    Ibuprofen Piconol
    1 2D Structure

    Ibuprofen Piconol

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate
    2.1.2 InChI
    InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3
    2.1.3 InChI Key
    ACEWLPOYLGNNHV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2=CC=CC=N2
    2.2 Other Identifiers
    2.2.1 UNII
    B0F91K5U4N
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Pimeprofen

    2. Pimeprofen, (+)-isomer

    3. Pimeprofen, (-)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 64622-45-3

    2. Pimeprofen

    3. Staderm

    4. Ibuprofenpiconol

    5. Vesicum

    6. 112017-99-9

    7. 2-pyridylmethyl 2-(4-isobutylphenyl)propionate

    8. Pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate

    9. Pyridin-2-ylmethyl 2-(4-isobutylphenyl)propanoate

    10. Be-100

    11. B0f91k5u4n

    12. U-75630

    13. Ibuprofen Piconol [usan:jan]

    14. Be 100

    15. Einecs 264-979-8

    16. Unii-b0f91k5u4n

    17. Pineprofen

    18. U 75630

    19. Staderm (tn)

    20. 2-(p-isobutylphenyl)propionic Acid 2-pyridylmethyl Ester

    21. 2-pyridylmethyl 2-(p-(2-methylpropyl)phenyl)propionate

    22. Propionic Acid, 2-(p-isobutylphenyl)-, 2-pyridylmethyl Ester

    23. Dsstox_cid_3140

    24. 2-pyridylmethyl 2-(4-isobutylphenyl)propanoate

    25. Alpha-methyl-4-(2-methylpropyl)benzeneacetic Acid 2-pyridinylmethyl Ester

    26. Benzeneacetic Acid, Alpha-methyl-4-(2-methylpropyl)-, 2-pyridinylmethyl Ester

    27. Dsstox_rid_97273

    28. 2-pyridinylmethyl 2-(4-isobutylphenyl)propanoate

    29. Dsstox_gsid_23140

    30. Schembl36747

    31. Ibuprofen Piconol [jan]

    32. Chembl2106254

    33. Dtxsid7023140

    34. Ibuprofen Piconol [usan]

    35. Chebi:31685

    36. Ibuprofen Piconol (jp17/usan)

    37. Bo-36

    38. Ibuprofen Piconol [who-dd]

    39. Bcp06021

    40. Tox21_113700

    41. Mfcd00866018

    42. S6448

    43. Akos022173026

    44. Cs-7669

    45. Ds-7242

    46. Ncgc00249924-01

    47. Cas-64622-45-3

    48. Hy-101482

    49. D01122

    50. F17344

    51. U75630

    52. Sr-01000945224

    53. Sr-01000945224-1

    54. 2-pyridylmethyl (+/-)-p-isobutylhydratropate

    55. Q27274225

    56. 2-(4-isobutylphenyl)propionic Acid-2-pyridylmethyl Ester

    57. Z1537603096

    58. (+)-2-(p-isobutylphenyl)propionic Acid 2-pyridylmethyl Ester

    59. (?)-2-(p-isobutylphenyl)propionic Acid 2-pyridylmethyl Ester

    60. (pyridin-2-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate

    61. Benzeneacetic Acid, .alpha.-methyl-4-(2-methylpropyl)-, 2-pyridinylmethyl Ester

    62. Benzeneacetic Acid, .alpha.-methyl-4-(2-methylpropyl)-, 2-pyridinylmethyl Ester, (+/-)-

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 297.4 g/mol
    Molecular Formula C19H23NO2
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass297.172878976 g/mol
    Monoisotopic Mass297.172878976 g/mol
    Topological Polar Surface Area39.2 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity334
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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