CAS 139481-58-6

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Also known as: Candesartan ethyl ester, 139481-58-6, Ethyl 1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate, 8tt2y1f36j, Ethyl 2-ethoxy-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate, Ethyl 1-((2'-(1h -tetrazol-5-yl)biphenyl-4-yl)methyl(-2-ethoxybenzimidazole-7-carboxylate

Molecular Formula

C₂₆H₂₄N₆O₃

Molecular Weight

468.5 g/mol

InChI Key

BCPWNYREAURMOP-UHFFFAOYSA-N

FDA UNII

8TT2Y1F36J

1 2D Structure

CAS 139481-58-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

2.1.2 InChI

InChI=1S/C26H24N6O3/c1-3-34-25(33)21-10-7-11-22-23(21)32(26(27-22)35-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24-28-30-31-29-24/h5-15H,3-4,16H2,1-2H3,(H,28,29,30,31)

2.1.3 InChI Key

BCPWNYREAURMOP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OCC

2.2 Other Identifiers

2.2.1 UNII

8TT2Y1F36J

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Candesartan Ethyl Ester

2. 139481-58-6

3. Ethyl 1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

4. 8tt2y1f36j

5. Ethyl 2-ethoxy-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

6. Ethyl 1-((2'-(1h -tetrazol-5-yl)biphenyl-4-yl)methyl(-2-ethoxybenzimidazole-7-carboxylate

7. Ethyl 2-ethoxy-1-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzimidazole-7-carboxylate

8. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-((2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, Ethyl Ester

9. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-((2'-(2h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, Ethyl Ester

10. Ethyl 2-ethoxy-1-[[(2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl]benzimidazole]-7-carboxylate

11. Unii-8tt2y1f36j

12. Ethyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylate

13. Candesartan Cilexetil Ep Impurity A

14. Candesartan Cilexetil Impurity A [ep]

15. Ec 642-256-1

16. Candesartan Cilexetil Specified Impurity A [ep]

17. Schembl683298

18. Dtxsid50161059

19. Zinc603603

20. Amy22169

21. Bcp07078

22. Ethyl -2-ethoxy-1-[[(2-(1htetrazol-5-yl)biphenyl-4-yl-) Methyl]

23. Akos015964210

24. Candesartan Cilexetil Related Compound A

25. Ac-18527

26. As-58069

27. Ethyl -2-ethoxy-1-[[(2 Inverted Exclamation Marka-(1htetrazol-5-yl)biphenyl-4-yl-) Methyl]benzimidazole]-7-carboxylate

28. Ethyl 1-((2'-(1h-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-1h-benzo(d)imidazole-7-carboxylate

29. Ft-0664224

30. D95996

31. 481e699

32. L006258

33. A1-01748

34. J-007280

35. Candesartan Cilexetil Impurity A [ep Impurity]

36. Q27270999

37. Ethyl-2-ethoxy-1-[[(2-(1htetrazol-5-yl)biphenyl-4-yl-)methyl]

38. Ethyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl) Biphenyl-4-yl]methyl]benzimidazole-7-carboxylate

39. Ethyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)-biphenyl-4-yl]methyl]benzimidazole-7-carboxylate

40. Ethyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]-methyl]benzimidazole-7-carboxylate

41. Ethyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-benzimidazole-7-carboxylate

42. Ethyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazoie-7-carboxylate

43. Ethyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate

44. Ethyl 2-ethoxy-3-[[4-[2-(1h-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

45. Ethyl 2-ethoxy-l-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]-methyl]benzimidazole-7-carboxylate

46. Ethyl 2-ethoxy-l-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate

47. (ethyl 1-{[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl-2-ethoxybenzimidazole-7-carboxylate)

48. Ethyl 2-ethoxy-1-[[2'-(1 H-tetrazol-5-yl)biphenyl-4-yl]-methyl]benzimidazole-7-carboxylate

49. Ethyl 2-ethoxy-1-[[2'-(1 H-tetrazol-5-yl)biphenyl-4-yl]methyl]-benzimidazole-7-carboxylate

50. Ethyl 2-ethoxy-1-{[2'-(1h-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1h-1,3-benzodiazole-7-carboxylate

51. Ethyl1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₄N₆O₃
Molecular Weight	468.5 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	468.19098865 g/mol
Monoisotopic Mass	468.19098865 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	690
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