Shandong Loncom Pharmaceutical

CAS 139481-72-4

Chemistry, 3 End Use API, 44 Related Intermediates

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Also known as: 139481-72-4, N-trityl candesartan, 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylic acid, 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid, 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylic acid, Tritylcandesartan

Molecular Formula

C₄₃H₃₄N₆O₃

Molecular Weight

682.8 g/mol

InChI Key

VBMKOTRJWPIKMG-UHFFFAOYSA-N

1 2D Structure

CAS 139481-72-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid

2.1.2 InChI

InChI=1S/C43H34N6O3/c1-2-52-42-44-38-24-14-23-37(41(50)51)39(38)48(42)29-30-25-27-31(28-26-30)35-21-12-13-22-36(35)40-45-46-47-49(40)43(32-15-6-3-7-16-32,33-17-8-4-9-18-33)34-19-10-5-11-20-34/h3-28H,2,29H2,1H3,(H,50,51)

2.1.3 InChI Key

VBMKOTRJWPIKMG-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)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 139481-72-4

2. N-trityl Candesartan

3. 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylic Acid

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

5. 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylic Acid

6. Tritylcandesartan

7. Schembl498030

8. Dtxsid40437932

9. Bcp12746

10. Mfcd08436154

11. Zinc67664980

12. Akos015896035

13. Ab44950

14. Ac-1477

15. Am90290

16. Cs-w006659

17. Ds-1153

18. (trityl Candesartan)2-ethoxy-1-[[2-(2-triphenyl Methyl)-2h-tetrazole-5-yl](1,1-biphenyl)-4-yl]methyl]benzimidazole-2-carboxylic Acid

19. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-

20. Ft-0652450

21. 481t724

22. A807547

23. J-007282

24. 2-ethoxy-1-((2-(1-trityl-1h-tetrazol-5-yl)-[1,1-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylic Acid

25. 2-ethoxy-1-({2'-[1-(triphenylmethyl)-1h-1,2,3,4-tetrazol-5-yl]-[1,1'-biphenyl]-4-yl}methyl)-1h-1,3-benzodiazole-7-carboxylic Acid

26. 2-ethoxy-1-[[(2 Inverted Exclamation Mark -(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl-)methyl]benzimidazole-7-carboxylicacid

27. 2-ethoxy-1-[[2'-(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylic Acid

28. 2-ethoxy-1-[[2'-(n-triphenylmethyltetrazol-5-yl)-biphenyl-4-yl]methyl]benzimidazole-7-carboxylic Acid

29. 2-ethoxy-1-[[2'-(n-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic Acid

30. 2-ethoxy-1-[[2'-[2-(triphenylmethyl)-2h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1h-benzimidazole-7-carboxylic Acid

31. 2-ethoxy-1-[{2'-[1-(trityl)-1h-tetrazol-5-yl]-biphenyl-4-yl}-methyl]-1h-benzimidazole-7-carboxylic Acid

32. 2-ethoxy-1-[2'-[1-(triphenylmethyl)-1h-tetrazole-5-yl]-4-biphenylylmethyl]-1h-benzimidazole-7-carboxylic Acid

33. 2-ethoxy-1-{[2'-(1-trityl-1h-tetrazol-5-yl)-4-biphenylyl]methyl}-1h-benzimidazole-7-carboxylic Acid

34. 2-ethoxy-1-{[2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl]methyl}-1h-benzimidazole-7-carboxylic Acid

35. 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic Acid;trityl Candesartan

36. 2-ethoxy-l-[[2'-(n-triphenylmethyl-tetrazol-5-yl) Biphenyl-4-yl]methyl]benzimidazole-7-carboxylic Acid

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₄₃H₃₄N₆O₃
Molecular Weight	682.8 g/mol
XLogP3	8.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	682.26923897 g/mol
Monoisotopic Mass	682.26923897 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1090
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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

Established in May 2012, Shandong Loncom Pharmaceutical operates as a fully owned subsidiary of Shandong ...

Established in May 2012, Shandong Loncom Pharmaceutical operates as a fully owned subsidiary of Shandong Bestcomm Pharmaceutical Co., Ltd. Situated in the Qihe Economic Development Zone, Shandong Province, Shandong Loncom has operational API pilot tests and production bases adhering to international standards. With 13 production lines dedicated to oral solid preparations, oral liquid preparations and API, it is actively expanding its preparation workshops for small-volume injections, soft capsules, eye drops, topical medicines and innovative drug R&D centres.