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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Synopsis

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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

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 Formula	C₁₆H₁₈N₄O₃S
Molecular Weight	346.4 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	346.10996162 g/mol
Monoisotopic Mass	346.10996162 g/mol
Topological Polar Surface Area	109 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	455
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1