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Chemistry

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Also known as: 903576-44-3, Ciproxidine, Bf 2649, Pitolisant hcl, Pitolisant (hydrochloride), Bf 2649 hydrochloride
Molecular Formula
C17H27Cl2NO
Molecular Weight
332.3  g/mol
InChI Key
XLFKECRRMPOAQS-UHFFFAOYSA-N
FDA UNII
YV33CH63HI

Pitolisant Hydrochloride
1 2D Structure

Pitolisant Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride
2.1.2 InChI
InChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H
2.1.3 InChI Key
XLFKECRRMPOAQS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
YV33CH63HI
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 903576-44-3

2. Ciproxidine

3. Bf 2649

4. Pitolisant Hcl

5. Pitolisant (hydrochloride)

6. Bf 2649 Hydrochloride

7. Yv33ch63hi

8. Pitolisant Hydrochloride [usan]

9. 1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine Hydrochloride

10. Piperidine, 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-, Hydrochloride

11. 903576-44-3 (hcl)

12. Wakix (tn)

13. Pitolisant Hydrochloride (usan)

14. 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-piperidine Hydrochloride

15. 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidine Hydrochloride

16. Piperidine, 1-(3-(3-(4-chlorophenyl)propoxy)propyl)-, Hydrochloride

17. Bf 2.649

18. Unii-yv33ch63hi

19. Schembl4591893

20. Bf-2649 Hydrochloride

21. Chembl4164059

22. Dtxsid50238098

23. Pitolisant;ciproxidine; Bf2649

24. Amy23423

25. Bcp16427

26. Ex-a1420

27. Hy-12199b

28. Pitolisant Hydrochloride [mi]

29. S5926

30. Akos024457784

31. Cs-1501

32. Sb17036

33. Pitolisant Hydrochloride [who-dd]

34. Ac-36017

35. As-72196

36. A3727

37. Pitolisant Hydrochloride [orange Book]

38. C77058

39. D11490

40. A900088

41. Q27895485

42. 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride

43. 1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine Monohydrochloride

44. Piperidine, 1-(3-(3-(4-chlorophenyl)propoxy)propyl)-, Hydrochloride (1:1)

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 332.3 g/mol
Molecular Formula C17H27Cl2NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass331.1469699 g/mol
Monoisotopic Mass331.1469699 g/mol
Topological Polar Surface Area12.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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