Ilaprazole

Synopsis, Chemistry

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Also known as: 172152-36-2, Iy-81149, Noltec, Iy 81149, Ilaprazole [inn], Iy81149

Molecular Formula

C₁₉H₁₈N₄O₂S

Molecular Weight

366.4 g/mol

InChI Key

HRRXCXABAPSOCP-UHFFFAOYSA-N

FDA UNII

776Q6XX45J

Ilaprazole is a substituted benzimidazole prodrug with selective and irreversible proton pump inhibitor activity. A weak base, ilaprazole accumulates in the acidic environment of the secretory canaliculus of the gastric parietal cell where it is converted to an active sulfenamide form that binds to cysteine sulfhydryl groups on the luminal aspect of the proton pump hydrogen-potassium adenosine triphosphatase (H+/K+ ATPase), thereby inhibiting the pump's activity and the parietal cell secretion of H+ ions into the gastric lumen, the final step in gastric acid production.

1 2D Structure

Ilaprazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole

2.1.2 InChI

InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)

2.1.3 InChI Key

HRRXCXABAPSOCP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)N4C=CC=C4)OC

2.2 Other Identifiers

2.2.1 UNII

776Q6XX45J

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Iy 81149

2. Iy-81149

3. Iy81149

2.3.2 Depositor-Supplied Synonyms

1. 172152-36-2

2. Iy-81149

3. Noltec

4. Iy 81149

5. Ilaprazole [inn]

6. Iy81149

7. 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1h-benzimidazole

8. 2-(((4-methoxy-3-methylpyridin-2-yl)methyl)sulfinyl)-6-(1h-pyrrol-1-yl)-1h-benzo[d]imidazole

9. 776q6xx45j

10. 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3h-benzoimidazole

11. Aldenon

12. 1h-benzimidazole,2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5-(1h-pyrrol-1-yl)- (9ci)

13. 2-((rs)-((4-methoxy-3-methylpyridin-2-yl)methyl)sulfinyl)-5-(1h-pyrrol-1-yl)-1h-benzimidazole

14. Unii-776q6xx45j

15. Ilaprazole [mart.]

16. Ilaprazole [who-dd]

17. Schembl1179039

18. Chembl2106370

19. Gtpl10512

20. Dtxsid10870115

21. Chebi:135544

22. Amy42072

23. Bcp08220

24. Xga15236

25. Iy81149;iy 81149;ilaprazole

26. S3666

27. Akos025401705

28. Ccg-268243

29. Cs-6444

30. Db11964

31. 2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(1h-pyrrol-1-yl)-1h-benzimidazole

32. Iy 81149iy81149

33. Ac-24701

34. Bs-15650

35. Db-064841

36. Hy-101664

37. Ft-0704889

38. Q15051261

39. 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1h-benzoimidazole

40. 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3h-benzoimidazole

41. 2-{[(4-methoxy-3-methylpyridin-2-yl)methyl]sulfinyl}-5-(1h-pyrrol-1-yl)-1h-benzimidazole

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₈N₄O₂S
Molecular Weight	366.4 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	366.11504700 g/mol
Monoisotopic Mass	366.11504700 g/mol
Topological Polar Surface Area	92 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	502
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1