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Also known as: Encukalner, 1009344-33-5, Xen1101, 91wl7od122, Xen-1101, N-[4-(6-fluoro-3,4-dihydro-1h-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

Molecular Formula

C₂₃H₂₉FN₂O

Molecular Weight

368.5 g/mol

InChI Key

FJNPZKZPWVVSON-UHFFFAOYSA-N

FDA UNII

91WL7OD122

potassium channel opener with the same mechanism of action as retigabine

1 2D Structure

Azetukalner

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

2.1.2 InChI

InChI=1S/C23H29FN2O/c1-15-10-20(11-16(2)22(15)25-21(27)13-23(3,4)5)26-9-8-17-12-19(24)7-6-18(17)14-26/h6-7,10-12H,8-9,13-14H2,1-5H3,(H,25,27)

2.1.3 InChI Key

FJNPZKZPWVVSON-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

91WL7OD122

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Xen1101

2.3.2 Depositor-Supplied Synonyms

1. Encukalner

2. 1009344-33-5

3. Xen1101

4. 91wl7od122

5. Xen-1101

6. N-[4-(6-fluoro-3,4-dihydro-1h-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

7. N-(4-(6-fluoro-3,4-dihydro-1h-isoquinolin-2-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide

8. Refchem:136762

9. Kcnq2/3 Activator-1

10. Encukalner [inn]

11. Unii-91wl7od122

12. N-[4-(6-fluoro-3,4-dihydro-2(1h)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

13. N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1h)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide

14. N-[4-(6-fluoro-3,4-dihydroisoquinolin-2(1h)-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

15. Azetukalner [inn]

16. Azetukalner (usan/inn)

17. Azetukalner [usan]

18. Orb1298120

19. Schembl1000065

20. Chembl5095264

21. Schembl30429530

22. Gtpl12650

23. Fjnpzkzpwvvson-uhfffaoysa-n

24. Bdbm557819

25. Glxc-26843

26. Ex-a5508

27. Vrx621698

28. Akos040759801

29. 1op2198

30. Ms-25918

31. Example 11 [wo2008024398a2]

32. Db-188408

33. Hy-139791

34. Cs-0255455

35. D12890

36. H38826

37. Us11365181, Compound B (wo2008/024398 A2)

38. [4-(6-fluoro-3,4-dihydro-1h-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

39. Butanamide, N-[4-(6-fluoro-3,4-dihydro-2(1h)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethyl-

40. N-[4-(6-fluoro-3,4-dihydro-1h-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethyl Butanamide

2.4 Create Date

2008-03-10

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₉FN₂O
Molecular Weight	368.5 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	32.3
Heavy Atom Count	27
Formal Charge	0
Complexity	505
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