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Also known as: 802906-73-6, Ctep derivative, Rg7090, 2-chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl)ethynyl)pyridine, Rg-7090, Ro4917523

Molecular Formula

C₁₈H₁₃ClFN₃

Molecular Weight

325.8 g/mol

InChI Key

UPZWINBEAHDTLA-UHFFFAOYSA-N

FDA UNII

3110E3AO8S

Basimglurant has been used in trials studying the diagnostic and treatment of Depression, Fragile X Syndrome, and Major Depressive Disorder.

1 2D Structure

Basimglurant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine

2.1.2 InChI

InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3

2.1.3 InChI Key

UPZWINBEAHDTLA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(N=C(N1C2=CC=C(C=C2)F)C)C#CC3=CC(=NC=C3)Cl

2.2 Other Identifiers

2.2.1 UNII

3110E3AO8S

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-chloro-4-(1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-ylethynyl)pyridine

2. Ro4917523

2.3.2 Depositor-Supplied Synonyms

1. 802906-73-6

2. Ctep Derivative

3. Rg7090

4. 2-chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl)ethynyl)pyridine

5. Rg-7090

6. Ro4917523

7. Ro-4917523

8. 2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine

9. Noe-101

10. 3110e3ao8s

11. 1034442-21-1 (free Base)

12. 2-chloro-4-(2-(1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl)ethynyl)pyridine

13. Pyridine, 2-chloro-4-(2-(1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl)ethynyl)-

14. 1034442-21-1

15. Basimglurant [usan:inn]

16. Unii-3110e3ao8s

17. 2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl]ethynyl]pyridine

18. Basimglurant [inn]

19. Rg7090basimglurant

20. Rg 7090

21. Ro 4917523

22. Basimglurant (usan/inn)

23. Basimglurant [usan]

24. Basimglurant [who-dd]

25. Schembl560590

26. Gtpl9309

27. Chembl3301626

28. Dtxsid801025734

29. Hms3741c15

30. Bcp15864

31. Zinc6716839

32. Bdbm50071374

33. Mfcd25976719

34. Rg7090rg7090

35. Compound 2 [pmid: 25565255]

36. Cs-3388

37. Db11833

38. Ncgc00390716-02

39. Ac-35776

40. As-51978

41. Hy-15446

42. Ds-015787

43. D10864

44. P14045

45. A916083

46. Q18209947

47. 1-(4-fluorophenyl)-4-[(2-chloro-4-pyridyl)ethynyl]-2,5-dimethyl-1h-imidazole

48. 2-chloro-4-[1-(4-fluoro-phenyl)-2,5-dimethyl-1h-imidazol-4-ylethynyl]-pyridine

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₃ClFN₃
Molecular Weight	325.8 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	325.0782033 g/mol
Monoisotopic Mass	325.0782033 g/mol
Topological Polar Surface Area	30.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	465
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