CAS 139481-72-4

Chemistry, 4 End Use API, 61 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

139481-72-4

Intermediate Name

2-Ethoxy-1-[[2?-[2-(Triphenylmethyl...

About the Company

Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredient...

Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredients (APIs) and specialty fine chemicals. With a diverse product portfolio coupled with innovative R&D, Almelo boasts of having various reputed domestic and multi-national companies as its customers.

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CAS Number

139481-72-4

Intermediate Name

2-Ethoxy-1-[[2'-(N-triphenylmethylt...

About the Company

Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was succe...

Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was successfully listed in Shanghai Stock Exchange in March, 2003. Huahai Pharmaceuticals, a large scaled modern pharmaceutical group that integrates fomulations, APIs(Active Pharmaceutical Ingredients) and intermediates, is developing both domestic and international markets, and performing parallel development of science, industry and commerce. With a total asset of 1,900 million yuan, the company has 11branches (subsidiaries) in the United States, Shanghai, Hangzhou, and Linhai.

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CAS Number

139481-72-4

Intermediate Name

Trityl Candesartan

About the Company

Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...

Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.

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