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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, (+/-)-trityl candesartan cilexetil, 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate, 006a6a2yso, (1rs)-1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-(triphenylmethyl)-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzimidazole-7-carboxylate
Molecular Formula
C52H48N6O6
Molecular Weight
853.0  g/mol
InChI Key
MOHQWFWIPOOTGV-UHFFFAOYSA-N
FDA UNII
006A6A2YSO

CAS 170791-09-0
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 Other Identifiers
2.2.1 UNII
006A6A2YSO
2.3 Synonyms
2.3.1 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. (+/-)-trityl Candesartan Cilexetil

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

5. 006a6a2yso

6. (1rs)-1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-(triphenylmethyl)-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzimidazole-7-carboxylate

7. 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

8. 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl)-7-benzimidazolecarboxylic Acid 1-(cyclohexyloxycarbonyloxy)ethyl Ester

9. Unii-006a6a2yso

10. 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

11. Candesartan Cilexetil Impurity H [ep]

12. Ec 605-586-7

13. Candesartan Cilexetil Specified Impurity H [ep]

14. Schembl2477228

15. Dtxsid901308612

16. Bcp12026

17. Mfcd07781274

18. Akos015896145

19. Ab42672

20. Ac-6865

21. Am90298

22. 2-ethoxy-3-[2'-(1-trityl-1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-benzoimidazole-4-carboxylic Acid 1-cyclohexyloxycarbonyloxy-ethyl Ester

23. As-13564

24. Cs-0135671

25. Ft-0658910

26. C73285

27. 2-phenyl-2h-benzo[b][1,4]thiazin-3(4h)-one

28. 791t090

29. A811240

30. Candesartan Cilexetil Impurity H [ep Impurity]

31. Q27231326

32. (+)-1-(cyclohexyloxycarbonyloxy)-ethyl 2-ethoxy-1-[2'-(n-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methylbenzimidazole-7-carboxylate

33. (+/-)-1-(ciclohexiloxicarboniloxi)etil-2-etoxi-1-((2'-(trifenilmetiltetrazol-5-il)bifenil)-4-il)metil)-1h-bencimidazol-7-carboxilato

34. (+/-)-1-(cyclohexyloxycarbonyloxy)ethyl 2-ethoxy-1-[2'-(n-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methylbenzimidazole-7-carboxylate

35. 1-(((cyclohexyloxy)carbonyl)oxy)ethyl2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

36. 1-(cyclohexyloxycarbonyloxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

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

38. 1-(cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-[[2'-(n-triphenylmethyltetrazole-5-yl)biphenyl-4-yl]methy]benzimidazole-7-carboxylate

39. 1-(cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-[[2'-(n-triphenylmethyltetrazole-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate

40. 1-[[(cyclohexyl Oxy)carbonyl]oxy]ethyl 2-ethoxy-1-[[2'-(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylate

41. 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl 2-ethoxy-1-[[2'-(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylate

42. 1-[2'-(1-trityl-1h-tetrazole-5-yl)-4-biphenylylmethyl]-2-ethoxy-1h-benzoimidazole-7-carboxylic Acid 1-(cyclohexyloxycarbonyloxy)ethyl Ester

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 853.0 g/mol
Molecular Formula C52H48N6O6
XLogP311.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Exact Mass852.36353327 g/mol
Monoisotopic Mass852.36353327 g/mol
Topological Polar Surface Area133 Ų
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

BUILDING BLOCK

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