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    Ilaprazole

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

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    PharmaCompass
    $ API Ref.Price (USD/KG) : 1,951Xls

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    2D Structure
    Also known as: 172152-36-2, Iy-81149, Noltec, Iy 81149, Ilaprazole [inn], Iy81149
    Molecular Formula
    C19H18N4O2S
    Molecular Weight
    366.4  g/mol
    InChI Key
    HRRXCXABAPSOCP-UHFFFAOYSA-N
    FDA UNII
    776Q6XX45J
    Ilaprazole is a substituted benzimidazole prodrug with selective and irreversible proton pump inhibitor activity. A weak base, ilaprazole accumulates in the acidic environment of the secretory canaliculus of the gastric parietal cell where it is converted to an active sulfenamide form that binds to cysteine sulfhydryl groups on the luminal aspect of the proton pump hydrogen-potassium adenosine triphosphatase (H+/K+ ATPase), thereby inhibiting the pump's activity and the parietal cell secretion of H+ ions into the gastric lumen, the final step in gastric acid production.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole
    2.1.2 InChI
    InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)
    2.1.3 InChI Key
    HRRXCXABAPSOCP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)N4C=CC=C4)OC
    2.2 Other Identifiers
    2.2.1 UNII
    776Q6XX45J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Iy 81149

    2. Iy-81149

    3. Iy81149

    2.3.2 Depositor-Supplied Synonyms

    1. 172152-36-2

    2. Iy-81149

    3. Noltec

    4. Iy 81149

    5. Ilaprazole [inn]

    6. Iy81149

    7. 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1h-benzimidazole

    8. 2-(((4-methoxy-3-methylpyridin-2-yl)methyl)sulfinyl)-6-(1h-pyrrol-1-yl)-1h-benzo[d]imidazole

    9. 776q6xx45j

    10. 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3h-benzoimidazole

    11. Aldenon

    12. 1h-benzimidazole,2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5-(1h-pyrrol-1-yl)- (9ci)

    13. 2-((rs)-((4-methoxy-3-methylpyridin-2-yl)methyl)sulfinyl)-5-(1h-pyrrol-1-yl)-1h-benzimidazole

    14. Unii-776q6xx45j

    15. Ilaprazole [mart.]

    16. Ilaprazole [who-dd]

    17. Schembl1179039

    18. Chembl2106370

    19. Gtpl10512

    20. Dtxsid10870115

    21. Chebi:135544

    22. Amy42072

    23. Bcp08220

    24. Xga15236

    25. Iy81149;iy 81149;ilaprazole

    26. S3666

    27. Akos025401705

    28. Ccg-268243

    29. Cs-6444

    30. Db11964

    31. 2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(1h-pyrrol-1-yl)-1h-benzimidazole

    32. Iy 81149iy81149

    33. Ac-24701

    34. Bs-15650

    35. Db-064841

    36. Hy-101664

    37. Ft-0704889

    38. Q15051261

    39. 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1h-benzoimidazole

    40. 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3h-benzoimidazole

    41. 2-{[(4-methoxy-3-methylpyridin-2-yl)methyl]sulfinyl}-5-(1h-pyrrol-1-yl)-1h-benzimidazole

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 366.4 g/mol
    Molecular Formula C19H18N4O2S
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass366.11504700 g/mol
    Monoisotopic Mass366.11504700 g/mol
    Topological Polar Surface Area92 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity502
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1