CAS 117977-21-6

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14 Related Intermediates

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Chemistry

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Also known as: 117977-21-6, Rabeprazole sulfide, 2-[[[4-(3-methoxypropoxy)-3-methylpyridine-2-yl ]methyl]thio]-1h-benzimidazole, Rabeprazole-thioether, Rabeprazole impurity e, 2-[[[4-(3-methoxy propoxy)-3-methyl pyridine-2-yl ]methyl ] thio]-1h-benzimidazole

Molecular Formula

C₁₈H₂₁N₃O₂S

Molecular Weight

343.4 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 MeSH Synonyms

1. Rabeprazole-thioether

2.3.2 Depositor-Supplied Synonyms

1. 117977-21-6

2. Rabeprazole Sulfide

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

4. Rabeprazole-thioether

5. Rabeprazole Impurity E

6. 2-[[[4-(3-methoxy Propoxy)-3-methyl Pyridine-2-yl ]methyl ] Thio]-1h-benzimidazole

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

8. Rabeprazole Related Compound E

9. 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfanyl]-1h-benzimidazole

10. 2-[[4-(3-methoxypropoxy)-3-methylpyridine-2-yl]methylthio]-1h-benzimidazole

11. Mfcd08063845

12. 304s7e320p

13. 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methyl]thio]benzimidazole

14. 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]-1h-benzimidazole

15. 2-{[4-(3-methoxypropoxy)-3-methylpyridine-2-yl]methylthio}-1h-benzimidazole

16. 1h-benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)thio)-

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

18. 2-[[[4-(3-methoxy Propoxy)-3-methyl Pyridine-2-yl]methyl ] Thio]-1h-benzimidazole

19. 2-{[4(3-methoxypropoxy)-3-methyl Pyridine-2-yl]methylthio}-1h-benzimidazole

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

21. 2-[{4-(3-methoxypropoxy)-3-methylpyridin-2-yl}methylthio]-1h-benzimidazole

22. Unii-304s7e320p

23. 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfanyl)-1h-benzimidazole

24. 2-((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methylthio)-1h-benzo[d]imidazole

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

26. 2-[{4-(3-methoxypropoxy)-3-methylpyridine-2-yl}methylthio]-1h-benzimidazole

27. 2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylthio}-1h-benzimidazole

28. Rabeprazole Impurity E [usp-mc]

29. Rabeprazole Sulfide-[d3]

30. 2-[[[4-(3-methoxypropoxy)-3-methylpyridine-2-yl]methyl]thio]-1h-benzimidazole

31. Desmethylrabeprazole Thioether

32. Chembl51538

33. Schembl1306777

34. Dtxsid20433250

35. Bcp12237

36. 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylthio]benzimidazole

37. Zinc21992166

38. 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfanyl]-1h-benzimidazole

39. Akos015852518

40. Cs-w003467

41. Hy-w003467

42. Ac-22626

43. Ac-22627

44. Ds-14347

45. Rabeprazole Sulfide [usp Impurity]

46. Sy030473

47. Ft-0642883

48. R0098

49. S5885

50. Rabeprazole Related Compound E [usp-rs]

51. 977m216

52. A803859

53. Rabeprazole Sodium Impurity B [ep Impurity]

54. W-200910

55. Q27255911

56. Rabeprazole Related Compound E [usp Impurity]

57. 2-((4(3-methoxypropoxy)-3-methylpyridine-2-yl)methylthio)-1h-benzimidazole

58. 2-{[4(3-methoxypropoxy)-3-methyl Pyridine-2-yl]methylthio}-1hbenzimidazole

59. 2-{4-(3-methoxypropoxy)-3-methylpyridine-2-yl}methylthio-1h-benzimidazole

60. 2-[[[3-methyl-4-(3-methoxypropoxy)-2-pyridinyl]methyl]thio]-1h-benzimidazol

61. 2-[[[4-(3-methoxy Propoxy)-3-methyl Pyridine-2-yl]methyl] Thio] -1h-benzimidazole

62. 2-[[[4-(3-methoxy-propoxy)-3-methyl-2-pyridinyl]methyl]thio]-1h-benzimidazole

63. 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]-methyl Thio]-1h-benzimidazole

64. 2-[{4-(3-methoxypropoxy)-3-methylpyridine-2-yl}-methylthio]-1h-benzimidazole

65. 2-[{4-(3-methoxypropoxy)-3-methylpyridine-2-yl}methylthio]-1h Benzimidazole

66. 2-{[4-(3-methoxypropoxy)-3-methylpyridine-2-yl]-methythio}-1h-benzimidazole

67. 2-{[4-(3-methoxypropoxy)-3-methylpyridine-2-yl]methylthio}-1h -benzimidazole

68. 2-{[4-(3-methoxypropoxy)-3-methylpyridine-2-yl]methylthio}1h-benzo[d]imidazole

69. 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfanyl]-1h-benzimidazole;2-[[[4-(3-methoxypropoxy)-3-methylpyridine-2-yl ]methyl]thio]-1h-benzimidazole

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₁N₃O₂S
Molecular Weight	343.4 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	343.13544809 g/mol
Monoisotopic Mass	343.13544809 g/mol
Topological Polar Surface Area	85.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	374
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