Pitolisant Hydrochloride

Synopsis, 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

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 Formula	C₁₇H₂₇Cl₂NO
Molecular Weight	332.3 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	331.1469699 g/mol
Monoisotopic Mass	331.1469699 g/mol
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	235
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	2