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    Vapendavir

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 439085-51-5, Bta798, Vapendavir [inn], 3-ethoxy-6-(2-(1-(6-methylpyridazin-3-yl)piperidin-4-yl)ethoxy)benzo[d]isoxazole, Q8lvl5z68h, Bta-798
    Molecular Formula
    C21H26N4O3
    Molecular Weight
    382.5  g/mol
    InChI Key
    DKSVBVKHUICELN-UHFFFAOYSA-N
    FDA UNII
    Q8LVL5Z68H
    BTA798 is an antiviral for the treatment of HRV, the common cold virus, known to cause significant clinical complications in sufferers of Asthma and Chronic Obstructive Pulmonary Disease.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole
    2.1.2 InChI
    InChI=1S/C21H26N4O3/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20/h4-7,14,16H,3,8-13H2,1-2H3
    2.1.3 InChI Key
    DKSVBVKHUICELN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=NOC2=C1C=CC(=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C
    2.2 Other Identifiers
    2.2.1 UNII
    Q8LVL5Z68H
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 439085-51-5

    2. Bta798

    3. Vapendavir [inn]

    4. 3-ethoxy-6-(2-(1-(6-methylpyridazin-3-yl)piperidin-4-yl)ethoxy)benzo[d]isoxazole

    5. Q8lvl5z68h

    6. Bta-798

    7. 3-ethoxy-6-(2-(1-(6-methylpyridazin-3-yl)piperidin-4-yl)ethoxy)-1,2-benzoxazole

    8. 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole

    9. 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole

    10. Unii-q8lvl5z68h

    11. Schembl423752

    12. Chembl2062774

    13. Dtxsid40195984

    14. Glxc-25535

    15. Bcp23992

    16. Mfcd18633281

    17. 1,2-benzisoxazole, 3-ethoxy-6-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-

    18. Hy-106254

    19. Bta-798; Bta798; Bta 798

    20. Cs-0025433

    21. F18154

    22. Q27287117

    23. 3-ethoxy-6-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-1,2-benzisoxazole

    24. 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]-1,2-benzoxazole

    25. 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzisoxazole

    26. Bt8

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 382.5 g/mol
    Molecular Formula C21H26N4O3
    XLogP33.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass382.20049070 g/mol
    Monoisotopic Mass382.20049070 g/mol
    Topological Polar Surface Area73.5 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity475
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in viral infection.