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Also known as: 139481-69-9, Methyl 1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate, Candesartan methyl ester, Ng25z8ew4v, Chembl308884, Methyl 1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)-methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate
Molecular Formula
C25H22N6O3
Molecular Weight
454.5  g/mol
InChI Key
RBPFEPGTRLLUKI-UHFFFAOYSA-N
FDA UNII
NG25Z8EW4V

CAS 139481-69-9
1 2D Structure

CAS 139481-69-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
2.1.2 InChI
InChI=1S/C25H22N6O3/c1-3-34-25-26-21-10-6-9-20(24(32)33-2)22(21)31(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-27-29-30-28-23/h4-14H,3,15H2,1-2H3,(H,27,28,29,30)
2.1.3 InChI Key
RBPFEPGTRLLUKI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC
2.2 Other Identifiers
2.2.1 UNII
NG25Z8EW4V
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 139481-69-9

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

3. Candesartan Methyl Ester

4. Ng25z8ew4v

5. Chembl308884

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

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

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

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

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

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

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

13. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-((2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, Methyl Ester

14. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-((2'-(2h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, Methyl Ester

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

16. Unii-ng25z8ew4v

17. Methyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylate (candesartan Methyl Ester)

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

19. Candesartan Cilexetil Impurity I [ep]

20. Candesartan Methyl Ester-[d5]

21. Schembl1653406

22. Dtxsid60161060

23. Bcp12918

24. Bdbm50044396

25. Mfcd18379253

26. Zinc13760710

27. Akos015900107

28. Akos016001589

29. Ds-12084

30. Cs-0151434

31. Ft-0664227

32. D82209

33. A886000

34. Candesartan Cilexetil Impurity I [ep Impurity]

35. Q27284852

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

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

38. Methyl 2-ethoxy-1-[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methylbenzimidazole-7carboxylate

39. 1h-benzimidazole-7-carboxylicacid,1-[(2-cyano[1,1-biphenyl]-4-yl)methyl]-2-ethox-y-ethylester

40. 2-ethoxy-1-[[2'-(1h-tetrazole-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylic Acid Methyl Ester

41. 2-ethoxy-3-[2''-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-benzoimidazole-4-carboxylic Acid Methyl Ester

42. Methyl1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

2.4 Create Date
2007-02-12
3 Chemical and Physical Properties
Molecular Weight 454.5 g/mol
Molecular Formula C25H22N6O3
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass454.17533859 g/mol
Monoisotopic Mass454.17533859 g/mol
Topological Polar Surface Area108 Ų
Heavy Atom Count34
Formal Charge0
Complexity675
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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