Shandong Loncom Pharmaceutical

CAS 170791-09-0

Chemistry, 4 End Use API, 43 Related Intermediates

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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

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 Formula	C₅₂H₄₈N₆O₆
Molecular Weight	853.0 g/mol
XLogP3	11.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	17
Exact Mass	852.36353327 g/mol
Monoisotopic Mass	852.36353327 g/mol
Topological Polar Surface Area	133 Å²
Heavy Atom Count	64
Formal Charge	0
Complexity	1410
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

147403-65-4

End Use API

Azilsartan

About the Company

Founded in May 2012, it is a wholly-owned subsidiary of Shandong Bestcomm Pharmaceutical CO., Ltd. It is ...

Founded in May 2012, it is a wholly-owned subsidiary of Shandong Bestcomm Pharmaceutical CO., Ltd. It is located in the Qihe Economic Development Zone, Shandong Province. The API pilot test, production base, and preparation production base constructed by the company in accordance with European, American, and other international standards have been put into use, there are currently 13 production lines for oral solid preparations, oral liquid preparations, and API. The preparation workshops for small-volume injections, soft capsules, eye drops, topical medicines, and innovative drug R&D centers are being stepped up.