Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 924012-43-1, Eb-1020 free base, D2a6t4uh9c, Dov 216,419 free base, Dov-216419, (1r,5s)-1-(2-naphthyl)-3-azabicyclo[3.1.0]hexane
Molecular Formula
C15H15N
Molecular Weight
209.29  g/mol
InChI Key
HKHCSWPSUSWGLI-CABCVRRESA-N
FDA UNII
D2A6T4UH9C

Centanafadine is under investigation in clinical trial NCT02827513 (A Phase 1 Study to Investigate the Safety, Tolerance, Food Effect, Pharmacokinetics and Pharmacodynamics of Single and Multiple Doses of Extended Release Formulations of Centanafadine (CTN) in Young Healthy Subjects).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
2.1.2 InChI
InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14-,15+/m1/s1
2.1.3 InChI Key
HKHCSWPSUSWGLI-CABCVRRESA-N
2.1.4 Canonical SMILES
C1C2C1(CNC2)C3=CC4=CC=CC=C4C=C3
2.1.5 Isomeric SMILES
C1[C@H]2[C@@]1(CNC2)C3=CC4=CC=CC=C4C=C3
2.2 Other Identifiers
2.2.1 UNII
D2A6T4UH9C
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 924012-43-1

2. Eb-1020 Free Base

3. D2a6t4uh9c

4. Dov 216,419 Free Base

5. Dov-216419

6. (1r,5s)-1-(2-naphthyl)-3-azabicyclo[3.1.0]hexane

7. (1r,5s)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane

8. Centanafadine (usan)

9. Centanafadine [usan]

10. Dov 216,419

11. (1r,5s)-1-(naphthalen-2-yl)-3-azabicyclo(3.1.0)hexane

12. (1r,5s)-1-(naphthalen-2-yl)-3-azabicyclo[3.1.0]hexane

13. 3-azabicyclo(3.1.0)hexane, 1-(2-naphthalenyl)-, (1r,5s)-

14. Unii-d2a6t4uh9c

15. Centanafadine [usan:inn]

16. Mfcd28902249

17. Centanafadine [inn]

18. Centanafadine (eb-1020)

19. Centanafadine, (+)-

20. Centanafadine [who-dd]

21. Schembl4187417

22. Chembl3301621

23. Dtxsid201045788

24. Ac7288

25. Db14841

26. Hy-16736

27. Cs-0012333

28. D10697

29. Q27276010

30. (1r,5s)-(+)-1-(naphthalen-2-yl)-3-azabicyclo[3.1.0]hexane

2.4 Create Date
2007-06-18
3 Chemical and Physical Properties
Molecular Weight 209.29 g/mol
Molecular Formula C15H15N
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass209.120449483 g/mol
Monoisotopic Mass209.120449483 g/mol
Topological Polar Surface Area12 Ų
Heavy Atom Count16
Formal Charge0
Complexity287
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1