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Also known as: 102625-64-9, 5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)methyl]thio-1h-benzimidazole, 5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole, Pantoprazole thioether, 5-difluoromethoxy-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]thio}-1h-benzimidazole, Pantoprazole related compound b
Molecular Formula
C16H15F2N3O3S
Molecular Weight
367.4  g/mol
InChI Key
UKILEIRWOYBGEJ-UHFFFAOYSA-N
FDA UNII
BWZ6X03HIB

CAS 102625-64-9
1 2D Structure

CAS 102625-64-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1H-benzimidazole
2.1.2 InChI
InChI=1S/C16H15F2N3O3S/c1-22-13-5-6-19-12(14(13)23-2)8-25-16-20-10-4-3-9(24-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
2.1.3 InChI Key
UKILEIRWOYBGEJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)OC(F)F)OC
2.2 Other Identifiers
2.2.1 UNII
BWZ6X03HIB
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 102625-64-9

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

3. 5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole

4. Pantoprazole Thioether

5. 5-difluoromethoxy-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]thio}-1h-benzimidazole

6. Pantoprazole Related Compound B

7. Bwz6x03hib

8. H-258/28

9. 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1h-benzimidazole

10. 5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridyl)methyl)thio)-1h-benzimidazole

11. 1h-benzimidazole, 6-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl)thio)-

12. 5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfanyl)-1h-benzimidazole

13. 5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylthio)-1h-benzo[d]imidazole

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

15. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1h-benzimidazole

16. 5-(difluoromethoxy)-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulphanyl]-1h-benzimidazole

17. Unii-bwz6x03hib

18. 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1h-benzimidazole

19. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl]methyl]thio]-1h-benzimidazole

20. 5-difluoromethoxy-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1h-benzimidazole

21. Pantoprazole Related Compound B [usp]

22. Pantoprazole Related Compound B Rs [usp]

23. Pantoprazole Sulfide-[d7]

24. Ec 700-025-3

25. L-asparticacid Hydrochloride

26. Schembl537800

27. Schembl13846375

28. Dtxsid30145418

29. Pantoprazole Sodium Sesquihydrate Specified Impurity B [ep]

30. Amy40854

31. Bcp12247

32. Mfcd07368273

33. Zinc16158998

34. 5-difluoromethoxy-2-(((3,4-dimethoxy-2-pyridyl)methyl)thio)-1h-benzimidazole

35. Akos015895368

36. Akos015965059

37. Ac-8095

38. Cs-w016749

39. 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]thio}-1h-benzimidazole

40. 6-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylthio)-1h-benzo[d]imidazole

41. As-11877

42. Ft-0642493

43. P2066

44. I11939

45. Pantoprazole Related Compound B [usp-rs]

46. 625d649

47. A800592

48. J-000743

49. J-516335

50. Pantoprazole Related Compound B [usp Impurity]

51. Q27274931

52. Pantoprazole Sodium Sesquihydrate Impurity B [ep Impurity]

53. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]thio]benzimidazole

54. 5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylthio)-1h-benzimidazole

55. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl) Methyl]thio]-1h-benzimidazole

56. 5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl) Methyl]thio-1h-benzimidazole

57. 5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)methyl]thio-1hbenzimidazole

58. 5-difluoromethoxy-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1h-benzimidazol

59. 6-(difluoromethoxy)-2-(3,4-dimethoxy-2-pyridylmethylthio)-1h-benzoimidazole

60. Pantoprazole Related Compound B, United States Pharmacopeia (usp) Reference Standard

61. 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2-[(triphenylmethyl)-1h-tetrazol-5-yl][1,1-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylic Acid Ethyl Ester

62. 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfanyl]-1h-benzimidazole;5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)methyl]thio-1h-benzimidazole

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 367.4 g/mol
Molecular Formula C16H15F2N3O3S
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass367.08021885 g/mol
Monoisotopic Mass367.08021885 g/mol
Topological Polar Surface Area94.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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