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CAS 84163-13-3 manufacturers and suppliers on PharmaCompass

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CAS 84163-13-3
Also known as: 84163-13-3, R-56109 hydrochloride, 6-fluoro-3-(4-piperidyl)-1,2-benzisoxazole hydrochloride, 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride, 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hcl, 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
Molecular Formula
C12H14ClFN2O
Molecular Weight
256.70  g/mol
InChI Key
CWPSRUREOSBKBQ-UHFFFAOYSA-N
FDA UNII
X3U18DS1Y7

1 2D Structure

CAS 84163-13-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
2.1.2 InChI
InChI=1S/C12H13FN2O.ClH/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H
2.1.3 InChI Key
CWPSRUREOSBKBQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNCCC1C2=NOC3=C2C=CC(=C3)F.Cl
2.2 Other Identifiers
2.2.1 UNII
X3U18DS1Y7
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 84163-13-3

2. R-56109 Hydrochloride

3. 6-fluoro-3-(4-piperidyl)-1,2-benzisoxazole Hydrochloride

4. 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole Hydrochloride

5. 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Hcl

6. 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride

7. 6-fluoro-3-piperidin-4-yl-benzo[d]isoxazole Hydrochloride

8. 4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidine Hydrochloride

9. X3u18ds1y7

10. Paliperidone Related Compound B

11. 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Monohydrochloride

12. 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole, Hcl

13. Mfcd06658529

14. 6-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole Hydrochloride

15. 1,2-benzisoxazole, 6-fluoro-3-(4-piperidinyl)-, Monohydrochloride

16. 1,2-benzisoxazole, 6-fluoro-3-(4-piperidinyl)-, Hydrochloride (1:1)

17. 6-fluoro-3-(piperidin-4-yl)-1,2-benzisoxazole Hydrochloride

18. Unii-x3u18ds1y7

19. Paliperidone Impurity O Hcl

20. Schembl531052

21. Dtxsid90233082

22. Act02050

23. Bcp13826

24. Akos015849221

25. Ac-2367

26. Sb38950

27. Bp-10259

28. Sy017246

29. Am20060212

30. Cs-0005760

31. F0944

32. Ft-0601045

33. F11294

34. Paliperidone Related Compound B [usp-rs]

35. 163f133

36. 11t-0035

37. Q-102530

38. Q27293525

39. 6-fluoro-3(4-piperidinyl)-1,2-benzoxazole Hydrochloride

40. 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole Hydrochloride

41. Z1741970118

42. 6-fluoro-3(4-piperidinyl)-1,2 Benzisoxazole Hydrochloride

43. 6-fluoro-3(4-piperidinyl)-1,2-benzisoxazole Hydrochloride

44. 6-fluoro-3-(4-piperidinyl)-1,2 Benzisoxazole Hydrochloride

45. 6-fluoro-3-(4-piperidinyl)-1,2benzisoxazole Hydrochloride

46. 6-fluoro-3-(4-piperidinyl)-benzo[d]isoxazole Hydrochloride

47. 6-fluoro-3-(4-piperidinyl)-l,2-benzisoxazole Hydrochloride

48. 6-fluoro-3-(4-piperidinyl)1,2 Benzisoxazole Hydrochloride

49. 6-fluoro-3-(4-piperidinyl)1,2-benzisoxazole Hydrochloride

50. 6-fluoro-3-(4piperidinyl)-1,2-benzisoxazole Hydrochloride

51. 6-fluoro3-(4-piperidinyl)-1,2-benzisoxazole Hydrochloride

52. 6fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Hydrochloride

53. 4-(6-fluoro-1,2-benzisoxazol- 3-yl)piperidine Hydrochloride

54. 4-(6-fluoro-1,2-benzisoxazol-3-yl)-piperidine Hydrochloride

55. 4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidine, Hydrochloride

56. 6-fluoro-3-(-4-piperidinyl)-1.2-benzisoxazole Hydrochloride

57. 6-fluoro-3-(4-piperidinyl)-1,2 -benzisoxazole Hydrochloride

58. 6-fluoro-3-(4-piperidinyl)-1,2-benzoisoxazole Hydrochloride

59. 4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidinium Chloride

60. 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Mono Hydrochloride

61. 6-fluoro-3-(4-piperidinyl)-1,2-benzoisoxazole Mono Hydrochloride

62. 6-fluoro-3-(4-piperidinyl)-1,2-benzoisoxazole Monohydrochloride

63. 6-fluoro-3-(4-piperidinyl)-1,2-benzoxazole Hydrochloride (1:1)

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 256.70 g/mol
Molecular Formula C12H14ClFN2O
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass256.0778689 g/mol
Monoisotopic Mass256.0778689 g/mol
Topological Polar Surface Area38.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity245
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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