CAS 84163-13-3

Chemistry, 5 End Use API, 15 Related Intermediates

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1 Intermediates

1 Intermediates

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 Formula	C₁₂H₁₄ClFN₂O
Molecular Weight	256.70 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	256.0778689 g/mol
Monoisotopic Mass	256.0778689 g/mol
Topological Polar Surface Area	38.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	245
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

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CAS Number

84163-13-3

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

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Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutica...

Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufacturing, covering a wide spectrum of intermediates, including advance intermediates, cGMP, & non-GMP intermediates. We represent GMP and WHO-certified manufacturers of APIs & advanced intermediates, offering Distribution & Agency services with rigorous selection processes & regular audits to guarantee top-quality products. Moreover, our global Strategic Sourcing capabilities provide high-quality ingredients & performance chemicals to the Pharmaceuticals & Specialty Chemical Industries.

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Zeon Pharma Industries India Pvt Lt...

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84163-13-3

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6-fluoro-3-(4-piperidinyl)-1,2-benz...

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Zeon Pharma Industries India Pvt ltd is an ISO & GMP certified manufacturer & exporter of Bulk drugs / Se...

Zeon Pharma Industries India Pvt ltd is an ISO & GMP certified manufacturer & exporter of Bulk drugs / Semi finish formulations & Intermediate and also has a GMP certified Manufacturing facility for Phytochemicals / Herbal extract and Enzymes through our associates.

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Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in deliveri...

Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in delivering efficiencies to generic players globally. Founded in 2017 by a team with vast experience across the pharmaceutical value chain, the company is on a mission to become the most preferred partner for pharmaceuticals. At Aurore, we aim to push the boundaries to manufacture and deliver high quality products that can be relied upon by both customers and regulators. Our thrust on rapidly adding capabilities have led us to acquire, integrate and expand our reach across the geographies.

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84163-13-3

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Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.

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