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    Daridorexant

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: Daridorexant, 1505484-82-1, Act-541468, Quviviq, Daridorexant [usan], Lmq24g57e9
    Molecular Formula
    C23H23ClN6O2
    Molecular Weight
    450.9  g/mol
    InChI Key
    NBGABHGMJVIVBW-QHCPKHFHSA-N
    FDA UNII
    LMQ24G57E9
    Nemorexant is under investigation in clinical trial NCT03101189 (A Study of ACT-541468 in Healthy Japanese and Caucasian Subjects).
    Daridorexant is an Orexin Receptor Antagonist. The mechanism of action of daridorexant is as an Orexin Receptor Antagonist.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
    2.1.2 InChI
    InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1
    2.1.3 InChI Key
    NBGABHGMJVIVBW-QHCPKHFHSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC2=C1N=C(N2)C3(CCCN3C(=O)C4=C(C=CC(=C4)OC)N5N=CC=N5)C)Cl
    2.1.5 Isomeric SMILES
    CC1=C(C=CC2=C1N=C(N2)[C@@]3(CCCN3C(=O)C4=C(C=CC(=C4)OC)N5N=CC=N5)C)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    LMQ24G57E9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. ((s)-(2-(5-chloro-4-methyl-1h-benzo(d)imidazol-2-yl)-2-methylpyrrolidin-1-yl) (5 Methoxy-2-(2h-1,2,3-triazol-2-yl)phenyl)methanone)

    2. Act-541468

    3. Daridorexant

    4. Methanone, ((2s)-2-(6-chloro-7-methyl-1h-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl)(5-methoxy-2-(2h-1,2,3-traizol-2-yl)phenyl)-

    2.3.2 Depositor-Supplied Synonyms

    1. Daridorexant

    2. 1505484-82-1

    3. Act-541468

    4. Quviviq

    5. Daridorexant [usan]

    6. Lmq24g57e9

    7. Act541468

    8. [(2~{s})-2-(6-chloranyl-7-methyl-1~{h}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone

    9. [(2s)-2-(5-chloro-4-methyl-1h-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone

    10. [(2s)-2-(5-chloro-4-methyl-1h-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl][5-methoxy-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone

    11. Methanone, ((2s)-2-(6-chloro-7-methyl-1h-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl)(5-methoxy-2-(2h-1,2,3-triazol-2-yl)phenyl)-

    12. Nemorexant (former Name)

    13. Daridorexant [inn]

    14. Unii-lmq24g57e9

    15. Daridorexant [who-dd]

    16. Chembl4297590

    17. Schembl16766318

    18. Gtpl11648

    19. Bdbm334973

    20. Dtxsid701336356

    21. Nemorexant; Act-541468

    22. Who 10679

    23. Us9732075, Example 5.36

    24. At32805

    25. Db15031

    26. Hy-109095

    27. Cs-0039396

    28. Act 541468;act-541468

    29. (2s)-2-(5-chloro-4-methyl-1h-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl)(5-methoxy-2-(2h-1,2,3-triazol-2-yl)phenyl)methanone

    30. (s)-(2-(5-chloro-4-methyl-1h-benzo[d]imidazol-2-yl)-2-methylpyrrolidin-1-yl)(5 Methoxy-2-(2h-1,2,3-triazol-2-yl)phenyl)methanone

    31. (s)-2-(5-chloro-4-methyl-1h Benzo[d]imidazol-2-yl)-2-methylpyrrolidin-1-yl](5-methoxy-2-(2h-1,2,3-triazol-2-yl)phenyl)methanone

    32. [(s)-2-(5-chloro-4-methyl-1h-benzoimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-(5-methoxy-2-[1,2,3]triazol-2-yl-phenyl)-methanone

    2.4 Create Date
    2015-06-22
    3 Chemical and Physical Properties
    Molecular Weight 450.9 g/mol
    Molecular Formula C23H23ClN6O2
    XLogP34.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass450.1571017 g/mol
    Monoisotopic Mass450.1571017 g/mol
    Topological Polar Surface Area88.9 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity693
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    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

    Quviviq is indicated for the treatment of adult patients with insomnia characterised by symptoms present for at least 3 months and considerable impact on daytime functioning.

    5 Pharmacology and Biochemistry
    5.1 FDA Pharmacological Classification
    5.1.1 Active Moiety
    DARIDOREXANT
    5.1.2 FDA UNII
    LMQ24G57E9
    5.1.3 Pharmacological Classes
    Orexin Receptor Antagonists [MoA]; Orexin Receptor Antagonist [EPC]
    5.2 ATC Code

    N05