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    Chemistry

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    Also known as: 113712-98-4, Tu-199, Ulsacare, Protop, Tu 199, Tenatoprazole [inn]
    Molecular Formula
    C16H18N4O3S
    Molecular Weight
    346.4  g/mol
    InChI Key
    ZBFDAUIVDSSISP-UHFFFAOYSA-N
    FDA UNII
    RE0689TX2K
    Tenatoprazole
    1 2D Structure

    Tenatoprazole

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
    2.1.2 InChI
    InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)
    2.1.3 InChI Key
    ZBFDAUIVDSSISP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC
    2.2 Other Identifiers
    2.2.1 UNII
    RE0689TX2K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-methoxy-2-(((4-methoxy-3,5-dimethylpyrid-2-yl)methyl)sulfinyl)-1h-imidazo(4,5-b)pyridine

    2. 5-methyl-2((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl-imidazo(4,5-b)pyridine

    3. Tu 199

    4. Tu-199

    5. Tu199

    2.3.2 Depositor-Supplied Synonyms

    1. 113712-98-4

    2. Tu-199

    3. Ulsacare

    4. Protop

    5. Tu 199

    6. Tenatoprazole [inn]

    7. Tu199

    8. Re0689tx2k

    9. (r)-tenatoprazole

    10. 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1h-imidazo[4,5-b]pyridine

    11. Ncgc00167521-01

    12. Dsstox_cid_26687

    13. Dsstox_rid_81821

    14. Dsstox_gsid_46687

    15. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-1h-imidazo[4,5-b]pyridine

    16. 3h-imidazo[4,5-b]pyridine, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-

    17. Cas-113712-98-4

    18. Unii-re0689tx2k

    19. Benatoprazole

    20. 3h-imidazo(4,5-b)pyridine, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-

    21. 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)-1h-imidazo(4,5-b)pyridine

    22. 5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)-1h-imidazo[4,5-b]pyridine

    23. 705969-00-2

    24. Tenatoprazole (jan/inn)

    25. Tenatoprazole [jan]

    26. Schembl323288

    27. Tenatoprazole [mart.]

    28. (+/-)-tenatoprazole

    29. Stu-199

    30. Tenatoprazole [who-dd]

    31. Chembl1475252

    32. Dtxsid1046687

    33. Chebi:94379

    34. Tenatoprazole, >=98% (hplc)

    35. Hms2090b06

    36. Hms3713d12

    37. (-)-5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]imidazo[4,5-b]pyridine

    38. Amy22647

    39. Bcp09130

    40. Tox21_112518

    41. Bdbm50402289

    42. S4212

    43. Akos015895166

    44. Akos015969750

    45. Tox21_112518_1

    46. Ccg-213826

    47. Sb16956

    48. 5-methoxy-2-(((4-methoxy-3,5-dimethylpyrid-2-yl)methyl)sulfinyl)-1h-imidazo(4,5-b)pyridine

    49. 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1h-imidazo[4,5-b]pyridine

    50. 5-methyl-2((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl-imidazo(4,5-b)pyridine

    51. Ncgc00167521-02

    52. Ncgc00167521-06

    53. Ncgc00386399-04

    54. 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1h-imidazo(4,5-b)pyridine

    55. Ac-12822

    56. Ac-35641

    57. As-76013

    58. Hy-17421

    59. Cs-0007867

    60. Ft-0631071

    61. D01920

    62. Ab01275522-01

    63. Ab01275522_02

    64. 712t984

    65. A803083

    66. Sr-01000872709

    67. J-003010

    68. Q4822824

    69. Sr-01000872709-1

    70. Brd-a42270467-001-01-0

    71. Brd-a42270467-001-02-8

    72. (+-)-5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)-1h-imidazo(4,5-b)pyridine

    73. (+/-)-5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)-1h-imidazo(4,5-b)pyridine

    74. (-)-5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]imidazo[4,5-b]pyridine

    75. 1h-imidazo(4,5-b)pyridine, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-

    76. 1h-imidazo(4,5-b)pyridine, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-(9ci

    77. 2-(2-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-5-methoxyimidazo(4,5-b)pyridine

    78. 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-3h-imidazo(4,5-b)pyridine

    79. 5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1h-imidazo[4,5-b]pyridine

    80. 5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-3h-imidazo[4,5-b]pyridine

    81. 5-methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulphinyl}-1h-imidazo[4,5-b]pyridine

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 346.4 g/mol
    Molecular Formula C16H18N4O3S
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass346.10996162 g/mol
    Monoisotopic Mass346.10996162 g/mol
    Topological Polar Surface Area109 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity455
    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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