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CAS 139481-41-7
Also known as: 139481-41-7, Ethyl 2-ethoxy-1-[(2'-cyanobiphenyl-4-yl)methyl]-1h-benzimidazole-7-carboxylate, Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl) methyl] benzimidazole]-7-carboxylate, Ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate, Ethyl 2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate, Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate
Molecular Formula
C26H23N3O3
Molecular Weight
425.5  g/mol
InChI Key
GYTTUVXCCHRIBA-UHFFFAOYSA-N

1 2D Structure

CAS 139481-41-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate
2.1.2 InChI
InChI=1S/C26H23N3O3/c1-3-31-25(30)22-10-7-11-23-24(22)29(26(28-23)32-4-2)17-18-12-14-19(15-13-18)21-9-6-5-8-20(21)16-27/h5-15H,3-4,17H2,1-2H3
2.1.3 InChI Key
GYTTUVXCCHRIBA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 139481-41-7

2. Ethyl 2-ethoxy-1-[(2'-cyanobiphenyl-4-yl)methyl]-1h-benzimidazole-7-carboxylate

3. Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl) Methyl] Benzimidazole]-7-carboxylate

4. Ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate

5. Ethyl 2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate

6. Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate

7. Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

8. Candesartan Intermediates

9. Ethyl -2-ethoxy-1-[[(2 Inverted Exclamation Marka-cyanobiphenyl-4-yl) Methyl] Benzimidazole] -7-carboxylate

10. Schembl848507

11. Dtxsid80572750

12. Bcp07077

13. Mfcd09030636

14. Zinc21989286

15. Akos015896141

16. Am84368

17. Ds-0460

18. Ethyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

19. Ac-26326

20. Cs-0151805

21. Ft-0648291

22. 4-chlorophenylphenylphosphoramidochloridate

23. A807543

24. Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole7-carboxylate

25. Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2ethoxybenzimidazole-7-carboxylate

26. Ethyl 1-[(2'-cyano-[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1h-benzoimidazole-7-carboxylate

27. Ethyl 1-[(2'-cyano-4-biphenylyl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

28. Ethyl 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

29. Ethyl 2-ethoxy-1-[[(2`-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate

30. Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate

31. 1h-benzimidazole-7-carboxylic Acid,1-((2'-cyano(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-ethylester

32. 1h-benzimidazole-7-carboxylic Acid,1-((2-cyano(1,1-biphenyl)-4-yl)methyl)-2-ethoxy-ethylester

33. 1h-benzimidazole-7-carboxylicacid,1-[(2 Inverted Exclamation Mark -cyano[1,1 Inverted Exclamation Mark -biphenyl]-4-yl)methyl]-2-ethoxy-,ethyl Este

34. Ethyl 1-((2\'-cyano-[1,1\'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

35. Ethyl 1-({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)-2-ethoxy-1h-1,3-benzodiazole-7-carboxylate

36. Ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-benzimidazole-4-carboxylate;ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

37. Ethyl1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 425.5 g/mol
Molecular Formula C26H23N3O3
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass425.17394160 g/mol
Monoisotopic Mass425.17394160 g/mol
Topological Polar Surface Area77.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity669
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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URL Supplier Web Content
1397836-41-7
Azilsartan
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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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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