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CAS 102625-64-9
PharmaCompass
CAS 102625-64-9
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, Unii-bwz6x03hib, 5-difluoromethoxy-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]thio}-1h-benzimidazole, Sbb070987
Molecular Formula
C16H15F2N3O3S
Molecular Weight
367.371  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. Unii-bwz6x03hib

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

6. Sbb070987

7. Ak-56406

8. 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfanyl}-1h-1,3-benzodiazole

9. 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]thio}-1h-benzimidazole

10. Pantoprazole Thioether

11. Pantoprazole Related Compound B

12. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1h-benzimidazole

13. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl]methyl]thio]-1h-benzimidazole

14. 5-(difluoromethoxy)-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulphanyl]-1h-benzimidazole

15. 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulphanyl}-1h-benzimidazole

16. 5-difluoromethoxy-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1h-benzimidazole

17. Pantoprazole Related Compound B [usp]

18. Pubchem20403

19. Acmc-1bouk

20. Pantoprazole Related Compound B Rs [usp]

21. Bwz6x03hib

22. Ksc498e9n

23. Schembl537800

24. H-258/28

25. Jsp000294

26. C16h15f2n3o3s

27. Schembl13846375

28. Ctk3j8296

29. Dtxsid30145418

30. Pantoprazole Sodium Sesquihydrate Specified Impurity B [ep]

31. Molport-003-849-784

32. Ukileirwoybgej-uhfffaoysa-n

33. Ebd35810

34. Ks-00000nn7

35. Zx-ap011973

36. Anw-14723

37. Cd-756

38. Mfcd07368273

39. Pc3237

40. Zinc16158998

41. Akos015895368

42. Akos015965059

43. Ac-8095

44. An-8326

45. Cor0003216

46. Rp17804

47. Tra0031392

48. 1h-benzimidazole, 6-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl)thio)-

49. 5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridyl)methyl)thio)-1h-benzimidazole

50. 5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfanyl)-1h-benzimidazole

51. Aj-68615

52. As-11877

53. Cc-21692

54. Cj-15445

55. Kb-53278

56. Sc-45552

57. Ab0004563

58. Ax8008748

59. Rt-004452

60. Tl8006118

61. Ft-0642493

62. P2066

63. St24044237

64. M-1107

65. 625d649

66. A800592

67. C-21060

68. I06-0607

69. J-000743

70. J-516335

71. 5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)me

72. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]thio]benzimidazole

73. {2-[(3,4-dimethoxy(2-pyridyl))methylthio]benzimidazol-5-yloxy}difluoromethane

74. 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1h-benzimidazole

75. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl) Methyl]thio]-1h-benzimidazole

76. 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfanyl]-1h-benzimidazole

77. 5-(difluoromethoxy)-2[[(3,4-dimethoxy-2-pyridinyl)methyl]-thio]-1h-benzimidazole

78. 5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl) Methyl]thio-1h-benzimidazole

79. 5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)methyl]thio-1hbenzimidazole

80. 5-difluoromethoxy-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1h-benzimidazol

81. 6-(difluoromethoxy)-2-(3,4-dimethoxy-2-pyridylmethylthio)-1h-benzoimidazole

82. 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylthio]-1h-benzimidazole

83. 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfanyl]-1h-benzimidazole

84. 6-[bis(fluoranyl)methoxy]-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1h-benzimidazole

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

86. 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

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 367.371 g/mol
Molecular Formula C16H15F2N3O3S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass367.08 g/mol
Monoisotopic Mass367.08 g/mol
Topological Polar Surface Area94.6 A^2
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
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