CAS 102625-64-9

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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

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 Formula	C₁₆H₁₅F₂N₃O₃S
Molecular Weight	367.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	367.08021885 g/mol
Monoisotopic Mass	367.08021885 g/mol
Topological Polar Surface Area	94.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	424
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1