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CAS 170791-09-0
PharmaCompass
CAS 170791-09-0
Also known as: 170791-09-0, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate, N-trityl candesartan cilexetil, Trityl candesartan ciletexitil, Ak-60239, 2-ethoxy-3-[2'-(1-trityl-1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-benzoimidazole-4-carboxylic acid 1-cyclohexyloxycarbonyloxy-ethyl ester
Molecular Formula
C52H48N6O6
Molecular Weight
852.992  g/mol
InChI Key
MOHQWFWIPOOTGV-UHFFFAOYSA-N

1 2D Structure

CAS 170791-09-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
2.1.2 InChI
InChI=1S/C52H48N6O6/c1-3-61-50-53-46-30-18-29-45(49(59)62-36(2)63-51(60)64-42-25-14-7-15-26-42)47(46)57(50)35-37-31-33-38(34-32-37)43-27-16-17-28-44(43)48-54-55-56-58(48)52(39-19-8-4-9-20-39,40-21-10-5-11-22-40)41-23-12-6-13-24-41/h4-6,8-13,16-24,27-34,36,42H,3,7,14-15,25-26,35H2,1-2H3
2.1.3 InChI Key
MOHQWFWIPOOTGV-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)OC(C)OC(=O)OC9CCCCC9
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 170791-09-0

2. 1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

3. N-trityl Candesartan Cilexetil

4. Trityl Candesartan Ciletexitil

5. Ak-60239

6. 2-ethoxy-3-[2'-(1-trityl-1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-benzoimidazole-4-carboxylic Acid 1-cyclohexyloxycarbonyloxy-ethyl Ester

7. Trityl

8. 1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-3-({2'-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]-[1,1'-biphenyl]-4-yl}methyl)-1,3-benzodiazole-4-carboxylate

9. N-tritylcandesartan Cilexetil

10. Triphenyl Candesartan Cilexetil

11. Trityl Candesartan Methyl Ester

12. Schembl2477228

13. Ctk8b4305

14. Mohqwfwipootgv-uhfffaoysa-n

15. Molport-005-935-783

16. C52h48n6o6

17. Anw-44644

18. Ct0234

19. Akos015896145

20. Ab42672

21. Ac-6865

22. Am90298

23. An-9592

24. As-13564

25. Bc210740

26. I707

27. Sc-16261

28. Kb-212255

29. Tc-133389

30. 4ch-007756

31. Ft-0658910

32. St24026794

33. 791t090

34. A811240

35. I06-1662

36. Tritylcandesartancilexetil[candesartancilexetilintermediates]

37. (+)-1-(cyclohexyloxycarbonyloxy)-ethyl 2-ethoxy-1-[2'-(n-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methylbenzimidazole-7-carboxylate

38. (+/-)-1-(cyclohexyloxycarbonyloxy)ethyl 2-ethoxy-1-[2'-(n-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methylbenzimidazole-7-carboxylate

39. (1rs)-1-[[(cyclohexyloxy)carbonyl]oxy]ethyl 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl]biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylate (n-tritylcandesartan Cilexetil)

40. 1-(cyclohexoxycarbonyloxy)ethyl 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

41. 1-(cyclohexyloxycarbonyloxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

42. 1-(cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-[[2'-(n-triphenylmethyl-1h -tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylate

43. 1-(cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-[[2'-(n-triphenylmethyltetrazole-5-yl)biphenyl-4-yl]methy]benzimidazole-7-carboxylate

44. 1-(cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-[[2'-(n-triphenylmethyltetrazole-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate

45. 1-[[(cyclohexyl Oxy)carbonyl]oxy]ethyl 2-ethoxy-1-[[2'-(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylate

46. 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl 2-ethoxy-1-[[2'-(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylate

47. 1-[2'-(1-trityl-1h-tetrazole-5-yl)-4-biphenylylmethyl]-2-ethoxy-1h-benzoimidazole-7-carboxylic Acid 1-(cyclohexyloxycarbonyloxy)ethyl Ester

48. 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

49. 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate

50. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl Ester

51. 2-ethoxy-1-[(2'-(1-trityl-1h-tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl]-7-benzimidazolecarboxylic Acid 1-(cyclohexyloxycarbonyloxy)ethyl Ester

52. 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1h-benzimidazole-7-carboxylic Acid 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl Ester

53. 2-ethoxy-3-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-benzimidazolecarboxylic Acid 1-[cyclohexyloxy(oxo)methoxy]ethyl Ester

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 852.992 g/mol
Molecular Formula C52H48N6O6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Exact Mass852.364 g/mol
Monoisotopic Mass852.364 g/mol
Topological Polar Surface Area133 A^2
Heavy Atom Count64
Formal Charge0
Complexity1410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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