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    Eliapixant

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    2D Structure
    Also known as: Eliapixant [inn], Eliapixant [usan], 1948229-21-7, 9gh7e6347b, Bay1817080, Bay-1817080
    Molecular Formula
    C22H21F3N4O3S
    Molecular Weight
    478.5  g/mol
    InChI Key
    GTQPEQGDLVSFJO-CXAGYDPISA-N
    FDA UNII
    9GH7E6347B
    Eliapixant is an orally bioavailable antagonist of the purinergic receptor P2X ligand-gated ion channel 3 (P2RX3), which may potentially be used to suppress pain and chronic cough. Upon oral administration, eliapixant selectively binds to and inhibits P2RX3 expressed on sensory nerve fibers. This may inhibit P2RX3-mediated afferent nerve fiber signaling including respiratory tract afferent nerve fiber signaling, and result in the suppression of pain and chronic cough. P2RX3 plays an important role in the cough reflex. It is also a natural mediator of pain and neurogenic inflammation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
    2.1.2 InChI
    InChI=1S/C22H21F3N4O3S/c1-12-8-26-20(33-12)15-5-14(6-18(7-15)32-17-3-4-31-11-17)19(30)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h5-10,13,17H,3-4,11H2,1-2H3,(H,29,30)/t13-,17-/m1/s1
    2.1.3 InChI Key
    GTQPEQGDLVSFJO-CXAGYDPISA-N
    2.1.4 Canonical SMILES
    CC1=CN=C(S1)C2=CC(=CC(=C2)OC3CCOC3)C(=O)NC(C)C4=CN=C(N=C4)C(F)(F)F
    2.1.5 Isomeric SMILES
    CC1=CN=C(S1)C2=CC(=CC(=C2)O[C@@H]3CCOC3)C(=O)N[C@H](C)C4=CN=C(N=C4)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    9GH7E6347B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Eliapixant [inn]

    2. Eliapixant [usan]

    3. 1948229-21-7

    4. 9gh7e6347b

    5. Bay1817080

    6. Bay-1817080

    7. 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3r)-oxolan-3-yl]oxy-n-[(1r)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

    8. Unii-9gh7e6347b

    9. Schembl17823984

    10. Gtpl11969

    11. Bdbm319844

    12. Ex-a5494

    13. Us10174016, Example 11

    14. Who 11269

    15. Bay 1817080

    16. Hy-109170

    17. Cs-0116356

    18. 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3r)-tetrahydrofuran-3-yloxy]-n-{(1r)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide

    19. 3-(5-methylthiazol-2-yl)-5-(((r)-tetrahydrofuran-3-yl)oxy)-n-((r)-1-(2-(trifluoromethyl)pyrimidin-5-yl)ethyl)benzamide

    20. 3-(5-methylthiazol-2-yl)-5-((3r)-tetrahydrofuran-3-yl)oxy-n-((1r)-1-(2-(trifluoromethyl)pyrimidin-5-yl)ethyl)benzamide

    21. Benzamide, 3-(5-methyl-2-thiazolyl)-5-(((3r)-tetrahydro-3-furanyl)oxy)-n-((1r)-1-(2-(trifluoromethyl)-5-pyrimidinyl)ethyl)-

    2.4 Create Date
    2016-08-06
    3 Chemical and Physical Properties
    Molecular Weight 478.5 g/mol
    Molecular Formula C22H21F3N4O3S
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count6
    Exact Mass478.12864620 g/mol
    Monoisotopic Mass478.12864620 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity665
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    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

    Treatment of unexplained or chronic refractory cough