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    CAS 127780-16-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 127780-16-9, 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1h-benzimidazole, Olw375vge9, 5-difluoromethoxy-2-((3,4 dimethoxy-2-pyridyl)methylsulfonyl)-1h-benzimidazole, Pantoprazole related compound a, Pantoprazole sulphone
    Molecular Formula
    C16H15F2N3O5S
    Molecular Weight
    399.4  g/mol
    InChI Key
    FCJYMBZQIJDMMM-UHFFFAOYSA-N
    FDA UNII
    OLW375VGE9
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1H-benzimidazole
    2.1.2 InChI
    InChI=1S/C16H15F2N3O5S/c1-24-13-5-6-19-12(14(13)25-2)8-27(22,23)16-20-10-4-3-9(26-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
    2.1.3 InChI Key
    FCJYMBZQIJDMMM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C(=NC=C1)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC
    2.2 Other Identifiers
    2.2.1 UNII
    OLW375VGE9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-difluoromethoxy-2-((3,4 Dimethoxy-2-pyridyl)methylsulfonyl)-1h-benzimidazole

    2. Dmmpm

    2.3.2 Depositor-Supplied Synonyms

    1. 127780-16-9

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

    3. Olw375vge9

    4. 5-difluoromethoxy-2-((3,4 Dimethoxy-2-pyridyl)methylsulfonyl)-1h-benzimidazole

    5. Pantoprazole Related Compound A

    6. Pantoprazole Sulphone

    7. Dmmpm

    8. 1h-benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-

    9. 6-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfonyl)-1h-benzo[d]imidazole

    10. Pantoprazole Sulphone Sodium Salt

    11. Unii-olw375vge9

    12. 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1h-benzimidazole

    13. Pantoprazolesulfone

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

    15. 5-(difluoromethoxy)-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulphonyl]-1h-benzimidazole (pantoprazole Sulphone)

    16. 1h-benzimidazole,6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-

    17. Schembl538298

    18. Schembl15475057

    19. Dtxsid60155666

    20. Chebi:190072

    21. Zinc6278461

    22. Akos030239945

    23. F77358

    24. Pantoprazole Related Compound A [usp-rs]

    25. J-005540

    26. Pantoprazole Related Compound A [usp Impurity]

    27. Q27285723

    28. Pantoprazole Sodium Sesquihydrate Impurity A [ep Impurity]

    29. 1h-benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-

    30. 5-(difluoromethoxy)-1h-benzimidazole-2-yl(3,4-dimethoxy-2-pyridylmethyl) Sulfone

    31. 5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridyl)methyl)sulfonyl)-1h-benzimidazole

    32. 6-(diluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulonyl]-1h-benzimidazole

    33. 5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfonyl)-1h-benzimidazole

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 399.4 g/mol
    Molecular Formula C16H15F2N3O5S
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count7
    Exact Mass399.07004809 g/mol
    Monoisotopic Mass399.07004809 g/mol
    Topological Polar Surface Area112 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity591
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1