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CAS 114772-55-3
Also known as: 114772-55-3, Des[2'-(1h-tetrazol-5-yl)] 2-cyanolosartan, 4'-[(2-butyl-4-chloro-5-hydroxymethyl-1h-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile, 2-n-butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole, Mfcd16619233, Schembl541
Molecular Formula
C22H22ClN3O
Molecular Weight
379.9  g/mol
InChI Key
FGCNIDUBRIVYBP-UHFFFAOYSA-N

1 2D Structure

CAS 114772-55-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzonitrile
2.1.2 InChI
InChI=1S/C22H22ClN3O/c1-2-3-8-21-25-22(23)20(15-27)26(21)14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-24/h4-7,9-12,27H,2-3,8,14-15H2,1H3
2.1.3 InChI Key
FGCNIDUBRIVYBP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CO)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 114772-55-3

2. Des[2'-(1h-tetrazol-5-yl)] 2-cyanolosartan

3. 4'-[(2-butyl-4-chloro-5-hydroxymethyl-1h-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile

4. 2-n-butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

5. Mfcd16619233

6. Schembl541

7. Dtxsid90560148

8. Zinc34293938

9. Akos015896948

10. 4 Inverted Exclamation Mark -[(2-butyl-4-chloro-5-hydroxymethyl)-1h-imidazol-1-yl)methyl]-[1,1 Inverted Exclamation Mark -biphenyl]-2-carbonitrile

11. 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1h-imidazol-1-yl]methyl]-[1,1'-biphenyl]-2-carbonitrile

12. As-13795

13. Cs-0110409

14. Ft-0697348

15. 772b553

16. A846445

17. 1-[(2'-cyano-biphenyl-4-yl) Methyl]-2-butyl-4-chloro-5-hydroxymethyl-imidazole

18. 1-[(2'-cyano-biphenyl-4-yl)methyl]-2-butyl-4-chloro-5-hydroxymethyl-imidazole

19. 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-butyl-4-chloro-5-hydroxymethylimidazole

20. 2-butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)methyl]-5-(hydroxymethyl)imidazole

21. 2-butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)methyl]-5-hydroxymethyl-1h-imidazole

22. 2-butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)methyl]-5-hydroxymethylimidazole

23. 2-n-butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl) Imidazole

24. 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1h-imidazol-1-yl]methyl]-[1,1'-biphenyl]-2-carbonitrile; 2-butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)methyl]-5-hydroxymethylimidazole; 4'-(2-butyl-4-chloro-5-hydroxymethyl-1h-imidazol-1-yl)-1,1'-biphenyl-2-carbonitrile

25. 4'-{[2-butyl-4-chloro-5-(hydroxymethyl)-1h-imidazol-1-yl]methyl}[1,1'-biphenyl]-2-carbonitrile

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 379.9 g/mol
Molecular Formula C22H22ClN3O
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass379.1451400 g/mol
Monoisotopic Mass379.1451400 g/mol
Topological Polar Surface Area61.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity499
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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Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.
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Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufactur...
Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufacturing Active Pharmaceutical Ingredients, API Intermediates and NDDS/Pellets for the generics market across the world. Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today. Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today.Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today. Smilax manufactures APIs and API Intermediates at its state-of-the-art manufacturing facilities located at Hyderabad, Telangana and Visakhapatnam, Andhra Pradesh, India. Supported by a highly qualified and competent technical team, and endowed with strengths in research and development, Smilax continues to expand its presence in the world of pharmaceuticals.
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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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