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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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Also known as: Afobazole, Obenoxazine, Aphobazole, Fabomotizole [inn], Obenoxazine [inn], Fabomotizol

Molecular Formula

C₁₅H₂₁N₃O₂S

Molecular Weight

307.4 g/mol

InChI Key

WWNUCVSRRUDYPP-UHFFFAOYSA-N

FDA UNII

0F8K1X115C

1 2D Structure

Afobazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine

2.1.2 InChI

InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)

2.1.3 InChI Key

WWNUCVSRRUDYPP-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

0F8K1X115C

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Afobazole

2. Obenoxazine

3. Aphobazole

4. Fabomotizole [inn]

5. Obenoxazine [inn]

6. Fabomotizol

7. Unii-0f8k1x115c

8. Fabomotizole (inn)

9. 0f8k1x115c

10. Cm-346

11. Fabomotizole [who-dd]

12. 5-ethoxy-2-((2-(morpholin-4-yl)ethyl)sulfanyl)-1h-benzimidazole

13. Dtxsid00169606

14. 5-ethoxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1h-1,3-benzodiazole

15. 1h-benzimidazole, 5-ethoxy-2-((2-(4-morpholinyl)ethyl)thio)-

16. Fabomotizolum

17. 5-ethoxy-2-((2-(morpholin-4-yl)ethyl)sulfanyl)-1h-1,3-benzodiazole

18. Refchem:139866

19. Dtxcid4092097

20. N05bx04

21. 173352-21-1

22. 4-(2-((5-ethoxy-1h-benzo[d]imidazol-2-yl)thio)ethyl)morpholine

23. 1h-benzimidazole, 6-ethoxy-2-[[2-(4-morpholinyl)ethyl]thio]-

24. 4-[2-[(6-ethoxy-1h-benzimidazol-2-yl)sulfanyl]ethyl]morpholine

25. Mfcd01413136

26. 4-(2-((6-ethoxy-1h-benzo[d]imidazol-2-yl)thio)ethyl)morpholine

27. 6-ethoxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1h-1,3-benzodiazole

28. Cm346

29. Fabomotizole Free Base

30. Cm346(afobazole)?

31. Fabomotizole (standard)

32. Schembl698567

33. Schembl698568

34. Orb1307299

35. Chembl3707307

36. Schembl29360845

37. Chebi:135309

38. Glxc-05973

39. Ebc-50083

40. Hy-14895r

41. Akos021631881

42. Akos032960431

43. Cs-3236

44. Db13623

45. Ncgc00390703-02

46. Ac-35218

47. Da-53102

48. Fo170131

49. Hy-14895

50. Ts-08050

51. D10561

52. 2-[2-(morpholino)ethylthio]-5-ethoxybenzimidazole

53. En300-30839366

54. Q2090655

55. Brd-k37793595-003-01-7

56. Z351640822

57. 6-ethoxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1h-1,3-benzimidazole

58. 4-{2-[(6-ethoxy-1h-1,3-benzimidazol-2-yl)sulfanyl]ethyl}morpholine

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₁N₃O₂S
Molecular Weight	307.4 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	75.7
Heavy Atom Count	21
Formal Charge	0
Complexity	315
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	1

4 Pharmacology and Biochemistry

4.1 ATC Code

N - Nervous system

N05 - Psycholeptics

N05B - Anxiolytics

N05BX - Other anxiolytics

N05BX04 - Fabomotizole

ATCvet Code

QN - Nervous system

QN05 - Psycholeptics

QN05B - Anxiolytics

QN05BX - Other anxiolytics

QN05BX04 - Fabomotizole

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