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    Afobazole

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 307.4 g/mol
    Molecular Formula C15H21N3O2S
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area75.7
    Heavy Atom Count21
    Formal Charge0
    Complexity315
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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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