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CAS 139481-72-4
PharmaCompass
CAS 139481-72-4
Also known as: 139481-72-4, N-trityl candesartan, 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylic acid, Ak-46731, 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid, 1h-benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-
Molecular Formula
C43H34N6O3
Molecular Weight
682.784  g/mol
InChI Key
VBMKOTRJWPIKMG-UHFFFAOYSA-N

1 2D Structure

CAS 139481-72-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
2.1.2 InChI
InChI=1S/C43H34N6O3/c1-2-52-42-44-38-24-14-23-37(41(50)51)39(38)48(42)29-30-25-27-31(28-26-30)35-21-12-13-22-36(35)40-45-46-47-49(40)43(32-15-6-3-7-16-32,33-17-8-4-9-18-33)34-19-10-5-11-20-34/h3-28H,2,29H2,1H3,(H,50,51)
2.1.3 InChI Key
VBMKOTRJWPIKMG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 139481-72-4

2. N-trityl Candesartan

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

4. Ak-46731

5. 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic Acid

6. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-

7. Schembl498030

8. Ben645

9. Ctk8g2081

10. Ks-00000itm

11. Dtxsid40437932

12. Molport-003-987-523

13. Vbmkotrjwpikmg-uhfffaoysa-n

14. C43h34n6o3

15. Ct0129

16. Mfcd08436154

17. Zinc67664980

18. Akos015896035

19. Ab44950

20. Ac-1477

21. Am90290

22. Cs-w006659

23. Ds-1153

24. An-14906

25. Bc210739

26. Br-46731

27. I593

28. Sc-23124

29. Ab0013778

30. Tl8006145

31. Ft-0652450

32. St24031979

33. St51053262

34. S-5522

35. 481t724

36. A807547

37. I06-1853

38. J-007282

39. (trityl Candesartan)2-ethoxy-1-[[2-(2-triphenyl Methyl)-2h-tetrazole-5-yl](1,1-biphenyl)-4-yl]methyl]benzimidazole-2-carboxylic Acid

40. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]- 139481-72-4

41. 1h-benzimidazole-7-carboxylic Acid,1-[[2'-[1-(triphenylmethyl)-1h-tertrazole-5-yl][1,1'-biphenyl]-4-yl]-methyl]-2-ethoxy

42. 2-ethoxy-[1-[[2-(2-triphenyl Methyl)-2h-tetrazole-5-yl](1,1-biphenyl)-4-yl]methyl]benzimidazole-2-carboxylic Acid

43. 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carb

44. 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylic Acid

45. 2-ethoxy-1-((2-(1-trityl-1h-tetrazol-5-yl)-[1,1-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylic Acid

46. 2-ethoxy-1-({2'-[1-(triphenylmethyl)-1h-1,2,3,4-tetrazol-5-yl]-[1,1'-biphenyl]-4-yl}methyl)-1h-1,3-benzodiazole-7-carboxylic Acid

47. 2-ethoxy-1-[(4-{2-[1-(triphenylmethyl)-1h-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methyl]-1h-1,3-benzodiazole-7-carboxylic Acid

48. 2-ethoxy-1-[[(2'-(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl]benzimidazole-7-carboxylic Acid

49. 2-ethoxy-1-[[2'-(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylic Acid

50. 2-ethoxy-1-[[2'-(n-triphenylmethyltetrazol-5-yl)-biphenyl-4-yl]methyl]benzimidazole-7-carboxylic Acid

51. 2-ethoxy-1-[[2'-(n-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic Acid

52. 2-ethoxy-1-[{2'-[1-(trityl)-1h-tetrazol-5-yl]-biphenyl-4-yl}-methyl]-1h-benzimidazole-7-carboxylic Acid

53. 2-ethoxy-1-[2'-[1-(triphenylmethyl)-1h-tetrazole-5-yl]-4-biphenylylmethyl]-1h-benzimidazole-7-carboxylic Acid

54. 2-ethoxy-1-{[2'-(1-trityl-1h-tetrazol-5-yl)-4-biphenylyl]methyl}-1h-benzimidazole-7-carboxylic Acid

55. 2-ethoxy-1-{[2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl]methyl}-1h-benzimidazole-7-carboxylic Acid

56. 2-ethoxy-3-({2'-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]-[1,1'-biphenyl]-4-yl}methyl)-1,3-benzodiazole-4-carboxylic Acid

57. 2-ethoxy-3-[(4-{2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methyl]-1,3-benzodiazole-4-carboxylic Acid

58. 2-ethoxy-3-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic Acid

59. 2-ethoxy-3-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-benzimidazolecarboxylic Acid

60. 2-ethoxy-l-[[2'-(n-triphenylmethyl-tetrazol-5-yl) Biphenyl-4-yl]methyl]benzimidazole-7-carboxylic Acid

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 682.784 g/mol
Molecular Formula C43H34N6O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass682.269 g/mol
Monoisotopic Mass682.269 g/mol
Topological Polar Surface Area108 A^2
Heavy Atom Count52
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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