CAS 139481-69-9

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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

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 Formula	C₂₅H₂₂N₆O₃
Molecular Weight	454.5 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	454.17533859 g/mol
Monoisotopic Mass	454.17533859 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	675
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