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    Padsevonil

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    2D Structure
    Also known as: 1294000-61-5, Padsevonil [inn], Padsevonil [usan], Ucb0942, Ucb-0942, Ucb1415943-000
    Molecular Formula
    C14H14ClF5N4O2S
    Molecular Weight
    432.8  g/mol
    InChI Key
    DCXFIOLWWRXEQH-SSDOTTSWSA-N
    FDA UNII
    0R1HN52K0N
    Padsevonil is under investigation in clinical trial NCT03695094 (A Study in Participants With Epilepsy, to Evaluate the Pharmacokinetics, Safety and Tolerability of Oxcarbazepine on Padsevonil).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
    2.1.2 InChI
    InChI=1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m1/s1
    2.1.3 InChI Key
    DCXFIOLWWRXEQH-SSDOTTSWSA-N
    2.1.4 Canonical SMILES
    COCC1=NN2C(=C(N=C2S1)C(F)(F)F)CN3CC(CC3=O)CC(F)(F)Cl
    2.1.5 Isomeric SMILES
    COCC1=NN2C(=C(N=C2S1)C(F)(F)F)CN3C[C@H](CC3=O)CC(F)(F)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    0R1HN52K0N
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (4r)-4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazol-5-yl)methyl)-2-pyrrolidinone

    2. 2-pyrrolidinone, 4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl)methyl)-, (4r)-

    2.3.2 Depositor-Supplied Synonyms

    1. 1294000-61-5

    2. Padsevonil [inn]

    3. Padsevonil [usan]

    4. Ucb0942

    5. Ucb-0942

    6. Ucb1415943-000

    7. 0r1hn52k0n

    8. Ucb-1415943-000

    9. (4r)-4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazol-5-yl)methyl)pyrrolidin-2-one

    10. (4r)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one

    11. 2-pyrrolidinone, 4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl)methyl)-, (4r)-

    12. Padsevonil [jan]

    13. Padsevonil (jan/usan)

    14. Padsevonil [who-dd]

    15. Unii-0r1hn52k0n

    16. Schembl1672843

    17. Chembl4297521

    18. Ex-a5541

    19. Who 10384

    20. Db14977

    21. Hy-109009

    22. Cs-0030507

    23. D11842

    24. Q27237119

    25. (4r)-4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazol-5-yl)methyl)-2-pyrrolidinone

    2.4 Create Date
    2011-05-23
    3 Chemical and Physical Properties
    Molecular Weight 432.8 g/mol
    Molecular Formula C14H14ClF5N4O2S
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count6
    Exact Mass432.0446154 g/mol
    Monoisotopic Mass432.0446154 g/mol
    Topological Polar Surface Area88 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity572
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anticonvulsants

    Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)