CAS 138401-24-8

Chemistry, 2 End Use API, 12 Related Intermediates

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Also known as: 138401-24-8, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile, [1,1'-biphenyl]-2-carbonitrile, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-, 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile, 2-butyl-3-[[2'-cyano-[1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4,4]non-1-en-4-one, Chembl332051

Molecular Formula

C₂₅H₂₇N₃O

Molecular Weight

385.5 g/mol

InChI Key

KWEQEHOPDHARIA-UHFFFAOYSA-N

1 2D Structure

CAS 138401-24-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile

2.1.2 InChI

InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3

2.1.3 InChI Key

KWEQEHOPDHARIA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 138401-24-8

2. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile

3. [1,1'-biphenyl]-2-carbonitrile, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-

4. 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile

5. 2-butyl-3-[[2'-cyano-[1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4,4]non-1-en-4-one

6. Chembl332051

7. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1'-biphenyl]-2-carbonitrile

8. 4'-[(2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile

9. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile

10. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile

11. 4'-[(2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile

12. [1,1'-biphenyl]-2-carbonitrile,4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]

13. 4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)biphenyl-2-carbonitrile

14. 4'-((2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-(1,1'-biphenyl)-2-carbonitrile

15. 4'-((2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile

16. 4'-[[2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl][1,1'-biphenyl]-2-carbonitrile

17. Ec 423-500-4

18. Ec 604-075-6

19. Schembl1316335

20. Dtxsid20431716

21. Bcp13496

22. Ac-125

23. Bdbm50042242

24. Mfcd06658242

25. Zinc13833593

26. Akos015895294

27. Ab25775

28. Am90288

29. 2-[4-[(8-butyl-6-oxo-7,9-diazaspiro[4.4]non-8-en-7-yl)methyl]phenyl]benzonitrile

30. 4'-((2-butyl-4-oxo-1,3-diazaspiro(4.4)non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile

31. Ac-20377

32. As-13565

33. B4143

34. Cs-0324405

35. Ft-0601482

36. S11999

37. 401b248

38. A807385

39. J-007132

40. 2-(n-butyl)-3-[[2'-(cyano)biphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

41. 2-n-butyl-3-[(2'-cyanobiphenyl-4-yl)methyl]-1,3-diazaspiro-[4,4]-non-1-en-4-one

42. 2-n-butyl-3-[[2'-cyanobiphenyl-4-yl]methyl]-1,3-diazaspiro-[4.4]non-1-en-4-one

43. 4''-(2-butyl-4-oxo-1,3-diaza-spiro[4,4]-non-1-en-3-ylmethyl)-biphe-nyl-2-carbonitrile

44. 4''-(2-butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-biphenyl-2-carbonitrile

45. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]nona-1-ene-3-yl)methyl]biphenyl-2-carbonitrile

46. 2-[4-[(8-butyl-6-oxidanylidene-7,9-diazaspiro[4.4]non-8-en-7-yl)methyl]phenyl]benzenecarbonitrile

47. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4,4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile

48. 4'-[(2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl](1,1'-biphenyl)-2-carbonitrile

49. 4'-[[2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]methy][1,1'-biphenyl]-2-carbonitrile

50. 4'-[[2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3yl]methyl][1,1'-biphenyl]-2-carbonitrile

51. 4\'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1\'-biphenyl]-2-carbonitrile

52. N-[(2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₇N₃O
Molecular Weight	385.5 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	385.215412493 g/mol
Monoisotopic Mass	385.215412493 g/mol
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	661
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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Sanpra Synthesis

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Cyano Irbesartan

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CAS Number

138401-24-8

End Use API

Irbesartan

About the Company

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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1-[(2'-Cyanobiphenyl-4-yl)methyl]-2- n-butyl-4-spirocyc...

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CAS Number

138401-24-8

End Use API

Irbesartan

About the Company

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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