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    CAS 102625-64-9

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 102625-64-9, 5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)methyl]thio-1h-benzimidazole, 5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole, Pantoprazole thioether, 5-difluoromethoxy-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]thio}-1h-benzimidazole, Pantoprazole related compound b
    Molecular Formula
    C16H15F2N3O3S
    Molecular Weight
    367.4  g/mol
    InChI Key
    UKILEIRWOYBGEJ-UHFFFAOYSA-N
    FDA UNII
    BWZ6X03HIB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1H-benzimidazole
    2.1.2 InChI
    InChI=1S/C16H15F2N3O3S/c1-22-13-5-6-19-12(14(13)23-2)8-25-16-20-10-4-3-9(24-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
    2.1.3 InChI Key
    UKILEIRWOYBGEJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)OC(F)F)OC
    2.2 Other Identifiers
    2.2.1 UNII
    BWZ6X03HIB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 102625-64-9

    2. 5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)methyl]thio-1h-benzimidazole

    3. 5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole

    4. Pantoprazole Thioether

    5. 5-difluoromethoxy-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]thio}-1h-benzimidazole

    6. Pantoprazole Related Compound B

    7. Bwz6x03hib

    8. H-258/28

    9. 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1h-benzimidazole

    10. 5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridyl)methyl)thio)-1h-benzimidazole

    11. 1h-benzimidazole, 6-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl)thio)-

    12. 5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfanyl)-1h-benzimidazole

    13. 5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylthio)-1h-benzo[d]imidazole

    14. 1h-benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-

    15. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1h-benzimidazole

    16. 5-(difluoromethoxy)-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulphanyl]-1h-benzimidazole

    17. Unii-bwz6x03hib

    18. 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1h-benzimidazole

    19. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl]methyl]thio]-1h-benzimidazole

    20. 5-difluoromethoxy-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1h-benzimidazole

    21. Pantoprazole Related Compound B [usp]

    22. Pantoprazole Related Compound B Rs [usp]

    23. Pantoprazole Sulfide-[d7]

    24. Ec 700-025-3

    25. L-asparticacid Hydrochloride

    26. Schembl537800

    27. Schembl13846375

    28. Dtxsid30145418

    29. Pantoprazole Sodium Sesquihydrate Specified Impurity B [ep]

    30. Amy40854

    31. Bcp12247

    32. Mfcd07368273

    33. Zinc16158998

    34. 5-difluoromethoxy-2-(((3,4-dimethoxy-2-pyridyl)methyl)thio)-1h-benzimidazole

    35. Akos015895368

    36. Akos015965059

    37. Ac-8095

    38. Cs-w016749

    39. 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]thio}-1h-benzimidazole

    40. 6-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylthio)-1h-benzo[d]imidazole

    41. As-11877

    42. Ft-0642493

    43. P2066

    44. I11939

    45. Pantoprazole Related Compound B [usp-rs]

    46. 625d649

    47. A800592

    48. J-000743

    49. J-516335

    50. Pantoprazole Related Compound B [usp Impurity]

    51. Q27274931

    52. Pantoprazole Sodium Sesquihydrate Impurity B [ep Impurity]

    53. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]thio]benzimidazole

    54. 5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylthio)-1h-benzimidazole

    55. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl) Methyl]thio]-1h-benzimidazole

    56. 5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl) Methyl]thio-1h-benzimidazole

    57. 5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)methyl]thio-1hbenzimidazole

    58. 5-difluoromethoxy-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1h-benzimidazol

    59. 6-(difluoromethoxy)-2-(3,4-dimethoxy-2-pyridylmethylthio)-1h-benzoimidazole

    60. Pantoprazole Related Compound B, United States Pharmacopeia (usp) Reference Standard

    61. 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2-[(triphenylmethyl)-1h-tetrazol-5-yl][1,1-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylic Acid Ethyl Ester

    62. 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfanyl]-1h-benzimidazole;5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)methyl]thio-1h-benzimidazole

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 367.4 g/mol
    Molecular Formula C16H15F2N3O3S
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass367.08021885 g/mol
    Monoisotopic Mass367.08021885 g/mol
    Topological Polar Surface Area94.6 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity424
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1