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    5-Methoxy-2-{[(4-Methoxy-3,5-Dimethylpyridin-2-Yl)Methyl]Sulfanyl}-1H-1,3-Benzodiazole

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 73590-85-9, Omeprazole sulfide, Omeprazole sulphide, Omeprazole metabolite omeprazole sulfide, Ufiprazole [inn], 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole
    Molecular Formula
    C17H19N3O2S
    Molecular Weight
    329.4  g/mol
    InChI Key
    XURCIPRUUASYLR-UHFFFAOYSA-N
    FDA UNII
    6FFV1V867C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole
    2.1.2 InChI
    InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
    2.1.3 InChI Key
    XURCIPRUUASYLR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC
    2.2 Other Identifiers
    2.2.1 UNII
    6FFV1V867C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. H 168-22

    2. Omeprazole Sulfide

    3. Omeprazole Sulphide

    2.3.2 Depositor-Supplied Synonyms

    1. 73590-85-9

    2. Omeprazole Sulfide

    3. Omeprazole Sulphide

    4. Omeprazole Metabolite Omeprazole Sulfide

    5. Ufiprazole [inn]

    6. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole

    7. 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1h-benzimidazole

    8. Omeprazole Impurity C

    9. Chembl892

    10. 6ffv1v867c

    11. Mfcd00869021

    12. 5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylthio)-1h-benzo[d]imidazole

    13. Pyrmetazole

    14. Ufiprazolum

    15. Ufiprazol

    16. 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1h-1,3-benzodiazole

    17. 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1h-benzimidazole

    18. Ufiprazol [spanish]

    19. Ufiprazolum [latin]

    20. Unii-6ffv1v867c

    21. 5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole

    22. 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)thio)benzimidazole

    23. Omeprazole-sulfide

    24. 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1h-benzimidazole

    25. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)thio]-1h-benzimidazole

    26. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1h-benzimidazole

    27. 1c6

    28. 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulphanyl]-1h-benzimidazole (ufiprazole)

    29. Omeprazole; Prilosec

    30. Indiumnitrate

    31. Esomeprazole, Deoxy-

    32. Ufiprazole [inci]

    33. 2-{[(3,5-dimethyl-4-methoxy-2-pyridinyl)-methyl]-thio}-5-methoxy-1h-benzimidazole

    34. Dsstox_cid_31605

    35. Dsstox_rid_97489

    36. Dsstox_gsid_57816

    37. Schembl662986

    38. H 168-22

    39. Dtxsid7057816

    40. Chebi:188255

    41. Amy30620

    42. Bcp21782

    43. Hy-g0006

    44. Tox21_113939

    45. Bdbm50240509

    46. S6438

    47. Zinc13603907

    48. 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)thio)benzimidazol

    49. Akos008263382

    50. Akos015963030

    51. Am10788

    52. Ncgc00262946-01

    53. Ac-24286

    54. As-17791

    55. Sy046832

    56. Cas-73590-85-9

    57. Db-032173

    58. Omeprazole Impurity C [ep Impurity]

    59. Ft-0673287

    60. Ft-0673288

    61. O0437

    62. 590m859

    63. A837866

    64. H-168/22

    65. Omeprazole Sulfide, Pharmaceutical Impurity Standard

    66. Omeprazole Sulphide;esomeprazole Related Substance C

    67. Q-201911

    68. Omeprazole Magnesium Impurity C [ep Impurity]

    69. Q27264821

    70. 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)me

    71. Z1203029456

    72. 1h-benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)thio)-

    73. 2-[[(3,5-dimethyl-4-methoxy-2-pyridinyl)methyl]thio]-5-methoxy-1h-benzimidazole

    74. 5-methoxy-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl Thio-1h-benzimidazole

    75. 5-methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethylsulfanyl)-1h-benzoimidazole

    76. 5-methoxy-2-[(3,5-dimethyl-4-methoxy-2-pyridinyl)methylthio]-1h-benzimidazole

    77. 5-methoxy-2-[(4-methoxy-3,5-di-methylpyridin-2-yl)methylsulfanyl]-1h-benzimidazole

    78. 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl-thio]-1h-benzimidazole

    79. 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]-1h-benzimidazole

    80. 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylthio]-1h-benzimidazole

    81. 5-methoxy-2-[[(4-methoxy-3,5 Dimethyl-2-pyridinyl)methyl]thio]-1h-benzimidazole

    82. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl)thio]-1h Benzimidazole

    83. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]thio]-1h-benzimidazole

    84. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)thio]-1h Benzimidazole

    85. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio] Benzimidazole

    86. 5-methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio}-1h-benzimidazole

    87. 6-methoxy-2-(((4-methoxy-3,5-dimethyl Pyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole

    88. 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole

    89. 6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylthio)-1h-benzo[d]imidazole

    90. 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]-1h-benzimidazole

    91. 6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-1h-benzimidazole

    92. 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulanyl]-1h-benzimidazole

    93. Omeprazole Sulfide; Omeprazole Sulphide; Omeprazole Metabolite Omeprazole Sulfide

    94. 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulphanyl]-1h-benzimidazole(omeprazole Sulfide)(omeprazole Impurity C), Pharmaceutical Secondary Standard; Certified Reference Material

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 329.4 g/mol
    Molecular Formula C17H19N3O2S
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass329.11979803 g/mol
    Monoisotopic Mass329.11979803 g/mol
    Topological Polar Surface Area85.3 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity387
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1