Centanafadine hydrochloride

Synopsis, Chemistry

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Also known as: Centanafadine hcl, 923981-14-0, Centanafadine (hydrochloride), Eb-1020 hydrochloride, Centanafadine hydrochloride [usan], Eb-1020

Molecular Formula

C₁₅H₁₆ClN

Molecular Weight

245.74 g/mol

InChI Key

ACVMJAJGCQUPKX-LIOBNPLQSA-N

FDA UNII

265DN9X85W

1 2D Structure

Centanafadine hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane;hydrochloride

2.1.2 InChI

InChI=1S/C15H15N.ClH/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;1H/t14-,15+;/m1./s1

2.1.3 InChI Key

ACVMJAJGCQUPKX-LIOBNPLQSA-N

2.1.4 Canonical SMILES

C1C2C1(CNC2)C3=CC4=CC=CC=C4C=C3.Cl

2.1.5 Isomeric SMILES

C1[C@H]2[C@@]1(CNC2)C3=CC4=CC=CC=C4C=C3.Cl

2.2 Other Identifiers

2.2.1 UNII

265DN9X85W

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(naphthalen-2-yl)-3-azabicyclo(3.1.0)hexane

2. Eb-1020

2.3.2 Depositor-Supplied Synonyms

1. Centanafadine Hcl

2. 923981-14-0

3. Centanafadine (hydrochloride)

4. Eb-1020 Hydrochloride

5. Centanafadine Hydrochloride [usan]

6. Eb-1020

7. 265dn9x85w

8. Dov-216419 Hydrochloride

9. Dov 216,419 Hydrochloride

10. 923981-14-0 (hcl)

11. Dov 216,419

12. Centanafadine Hydrochloride (eb-1020 (hydrochloride))

13. Centanafadine Hydrochloride (usan)

14. (1r,5s)-1-(naphthalen-2-yl)-3-azabicyclo[3.1.0]hexane Hydrochoride

15. (1r,5s)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane;hydrochloride

16. 3-azabicyclo(3.1.0)hexane, 1-(2-naphthalenyl)-, Hydrochloride (1:1), (1r,5s)-

17. Centanafadine-d7 Hydrochloride

18. Unii-265dn9x85w

19. (1r,5s)-1-(naphthalen-2-yl)-3-azabicyclo(3.1.0)hexane Hydrochloride

20. (1r,5s)-1-(naphthalen-2-yl)-3-azabicyclo[3.1.0]hexane Hydrochloride

21. Schembl4176916

22. Chembl3301615

23. Acvmjajgcqupkx-liobnplqsa-n

24. Ex-a4778

25. Ylb98114

26. Hy-16736a

27. Akos040732784

28. Ms-23475

29. Centanafadine Hydrochloride, (+)-

30. Centanafadine Hydrochloride [who-dd]

31. Cs-0077776

32. Eb-1020 Hydrochlorideeb-1020 Hydrochloride

33. D10698

34. E83715

35. A937518

36. Q27254053

37. (5s,1r)-1-(2-naphthyl)-3-azabicyclo[3.1.0]hexane Hcl

38. (1r,5s)-1-(naphthalen-2-yl)-3-azabicyclo[3.1.0]hexane Hydrochloride;centanafadine Hydrochloride;

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₆ClN
Molecular Weight	245.74 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	12
Heavy Atom Count	17
Formal Charge	0
Complexity	287
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2