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    Luvadaxistat

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    2D Structure
    Also known as: Luvadaxistat [usan], Tak-831, 76ic00yrvr, Tak831, Chembl2338801, 4-hydroxy-6-{2-[4-(trifluoromethyl)phenyl]ethyl}pyridazin-3(2h)-one
    Molecular Formula
    C13H11F3N2O2
    Molecular Weight
    284.23  g/mol
    InChI Key
    QBQMUMMSYHUDFM-UHFFFAOYSA-N
    FDA UNII
    76IC00YRVR
    TAK-831 is under investigation in clinical trial NCT03214588 (Efficacy, Tolerability, and Pharmacokinetics of Multiple Doses of Oral TAK-831 in Adults With Friedreich Ataxia).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-dihydropyridazine-3,4-dione
    2.1.2 InChI
    InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-11(19)12(20)18-17-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20)
    2.1.3 InChI Key
    QBQMUMMSYHUDFM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CCC2=CC(=O)C(=O)NN2)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    76IC00YRVR
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Luvadaxistat [usan]

    2. Tak-831

    3. 76ic00yrvr

    4. Tak831

    5. Chembl2338801

    6. 4-hydroxy-6-{2-[4-(trifluoromethyl)phenyl]ethyl}pyridazin-3(2h)-one

    7. 1425511-32-5

    8. 4-hydroxy-6-(2-(4-(trifluoromethyl)phenyl)ethyl)pyridazin-3(2h)-one

    9. 3(2h)-pyridazinone, 4-hydroxy-6-(2-(4-(trifluoromethyl)phenyl)ethyl)-

    10. Luvadaxistat [inn]

    11. Unii-76ic00yrvr

    12. Luvadaxistat [who-dd]

    13. Luvadaxistat; Tak-831

    14. Schembl14719667

    15. Bdbm50431085

    16. Who 11254

    17. Zinc95592350

    18. At32834

    19. Hy-109183

    20. Cs-0116454

    21. 4-hydroxy-6-(2-(4-(trifluoromethyl)phenyl)ethyl)-2,3-dihydropyridazin-3-one

    2.4 Create Date
    2013-03-21
    3 Chemical and Physical Properties
    Molecular Weight 284.23 g/mol
    Molecular Formula C13H11F3N2O2
    XLogP32.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass284.07726208 g/mol
    Monoisotopic Mass284.07726208 g/mol
    Topological Polar Surface Area58.2 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity424
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1