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CAS 117977-21-6
PharmaCompass
CAS 117977-21-6
Also known as: 117977-21-6, 2-[[[4-(3-methoxypropoxy)-3-methylpyridine-2-yl ]methyl]thio]-1h-benzimidazole, Rabeprazole sulfide, 2-[[[4-(3-methoxy propoxy)-3-methyl pyridine-2-yl ]methyl ] thio]-1h-benzimidazole, Unii-304s7e320p, Rebeprazole sulfone n-oxide
Molecular Formula
C18H21N3O2S
Molecular Weight
343.445  g/mol
InChI Key
BSXAHDOWMOSVAP-UHFFFAOYSA-N
FDA UNII
304S7E320P

1 2D Structure

CAS 117977-21-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfanyl]-1H-benzimidazole
2.1.2 InChI
InChI=1S/C18H21N3O2S/c1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
2.1.3 InChI Key
BSXAHDOWMOSVAP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCCOC
2.2 Other Identifiers
2.2.1 UNII
304S7E320P
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 117977-21-6

2. 2-[[[4-(3-methoxypropoxy)-3-methylpyridine-2-yl ]methyl]thio]-1h-benzimidazole

3. Rabeprazole Sulfide

4. 2-[[[4-(3-methoxy Propoxy)-3-methyl Pyridine-2-yl ]methyl ] Thio]-1h-benzimidazole

5. Unii-304s7e320p

6. Rebeprazole Sulfone N-oxide

7. 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole

8. 304s7e320p

9. Ak-47315

10. 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methyl]thio]benzimidazole

11. 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]-1h-benzimidazole

12. 2-{[4-(3-methoxypropoxy)-3-methylpyridine-2-yl]methylthio}-1h-benzimidazole

13. 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfanyl)-1h-1,3-benzodiazole

14. Rabeprazole-thioether

15. W-200910

16. 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfanyl]-1h-benzimidazole

17. 1h-benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)thio)-

18. 1h-benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]-

19. 2-[[[4-(3-methoxy Propoxy)-3-methyl Pyridine-2-yl]methyl ] Thio]-1h-benzimidazole

20. 2-[{4-(3-methoxypropoxy)-3-methylpyridin-2-yl}methylthio]-1h-benzimidazole

21. 1h-benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]-

22. 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)thio)-1h-benzimidazole

23. 2-[[4-(3-methoxypropoxy)-3-methylpyridine-2-yl]methylthio]-1h-benzimidazole

24. 2-[{4-(3-methoxypropoxy)-3-methylpyridine-2-yl}methylthio]-1h-benzimidazole

25. 2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylthio}-1h-benzimidazole

26. Rabeprazole Impurity E [usp-mc]

27. Desmethylrabeprazole Thioether

28. Chembl51538

29. Acmc-1c867

30. Schembl1306777

31. Ctk4b0528

32. Ks-00000ihf

33. Dtxsid20433250

34. Bsxahdowmosvap-uhfffaoysa-n

35. Molport-003-850-101

36. Anw-51933

37. Mfcd08063845

38. Zinc21992166

39. Akos015852518

40. Cl23647

41. Cs-w003467

42. Mcule-8738411113

43. Rtc-062482

44. 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfanyl]-1h-benzimidazole

45. Ac-22626

46. Ac-22627

47. Acm117977216

48. Aj-79752

49. An-32972

50. Br-47315

51. Cc-08455

52. Cj-17150

53. Ds-14347

54. He004856

55. Sy030473

56. Ab0059977

57. Ax8016917

58. Kb-166466

59. Kb-166706

60. Kb-282578

61. Tc-062482

62. 4ch-009310

63. Ft-0642883

64. R0098

65. St24028146

66. S-2351

67. 977m216

68. A803859

69. C-20418

70. I14-6092

71. 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylthio]-1h-benzimidazole

72. 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylthio]benzimidazole

73. 2-{[4(3-methoxypropoxy)-3-methyl Pyridine-2-yl]methylthio}-1hbenzimidazole

74. 2-{[4(3-methoxypropoxy)-3-methylpyridine-2-yl]methylthio}-1h-benzimidazole

75. 2-{4-(3-methoxypropoxy)-3-methylpyridine-2-yl}methylthio-1h-benzimidazole

76. 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfanyl)-1h-benzimidazole

77. 2-[[[3-methyl-4-(3-methoxypropoxy)-2-pyridinyl]methyl]thio]-1h-benzimidazol

78. 2-[[[4-(3-methoxy-propoxy)-3-methyl-2-pyridinyl]methyl]thio]-1h-benzimidazole

79. 2-[[[4-(3-methoxypropoxy)-3-methylpyridine-2-yl]methyl]thio]-1h-benzimidazole

80. 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]-methyl Thio]-1h-benzimidazole

81. 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfanyl]-1h-benzimidazole

82. 2-[{4-(3-methoxypropoxy)-3-methylpyridine-2-yl}-methylthio]-1h-benzimidazole

83. 2-[{4-(3-methoxypropoxy)-3-methylpyridine-2-yl}methylthio]-1h Benzimidazole

84. 2-{[4(3-methoxypropoxy)-3-methyl Pyridine-2-yl]methylthio}-1h-benzimidazole

85. 2-{[4-(3-methoxypropoxy)-3-methyl Pyridine-2-yl]methylthio}-1h-benzimidazole

86. 2-{[4-(3-methoxypropoxy)-3-methylpyridine-2-yl]methylthio}-1h -benzimidazole

87. 2-{[4-(3-methoxypropoxy)-3-methylpyridine-2-yl]methylthio}1h-benzo[d]imidazole

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 343.445 g/mol
Molecular Formula C18H21N3O2S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass343.135 g/mol
Monoisotopic Mass343.135 g/mol
Topological Polar Surface Area85.3 A^2
Heavy Atom Count24
Formal Charge0
Complexity374
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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