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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, (+/-)-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

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
Flag China
Digital Content Digital Content
URL Supplier Web Content
170791-09-0
Candesartan Cilexetil
Jiangsu Zhongbang Pharmaceutical Co., Ltd. is a wholly-owned subsidiary of Red Sun Group. Company has bee...
Jiangsu Zhongbang Pharmaceutical Co., Ltd. is a wholly-owned subsidiary of Red Sun Group. Company has been founded since 2001 and occupied 100,000m2. Company has 80 million RMB registered capital and plan to have a total investment of 200 million RMB. Company has 168 employees at present, in which there are 34 employees with Bachelor’s Degree or above, 12 employees with Master’s Degree or above, each kind of professional talents have occupied over 60% of the total employees. Company has got China GMP certificate since 2006 and currently has one GMP plant for API and one GMP plant for solid finished products. There are two production lines in API GMP plants with annual capacity of 50 tons API. There are equipment for tablets, capsules and granules in solid finished products. Company has set up qualified documentation systems according to China GMP and Europe and USA C-GMP. Company has the plan to pass COS and FDA authentication both around 2014. Company also pays serious attention on public welfare and concerns on green energy conservation and environmental protection undertaking.
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