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    Chemistry

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    Also known as: Act-541468a, Act-541468 hydrochloride, Nemorexant hydrochloride, Quviviq, 9x9581n56r, 1792993-84-0
    Molecular Formula
    C23H24Cl2N6O2
    Molecular Weight
    487.4  g/mol
    InChI Key
    HJVGDXBEMFHGKI-BQAIUKQQSA-N
    FDA UNII
    9X9581N56R
    Daridorexant Hydrochloride
    1 2D Structure

    Daridorexant Hydrochloride

    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;hydrochloride
    2.1.2 InChI
    InChI=1S/C23H23ClN6O2.ClH/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);1H/t23-;/m0./s1
    2.1.3 InChI Key
    HJVGDXBEMFHGKI-BQAIUKQQSA-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.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.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    9X9581N56R
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Act-541468a

    2. Act-541468 Hydrochloride

    3. Nemorexant Hydrochloride

    4. Quviviq

    5. 9x9581n56r

    6. 1792993-84-0

    7. Unii-9x9581n56r

    8. Daridorexant Hydrochloride [usan]

    9. 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)-, Hydrochloride (1:1)

    10. Chembl4650216

    11. Schembl16767284

    12. Ex-a7813

    13. Daridorexant Hydrochloride [jan]

    14. Ts-09376

    15. Daridorexant Hydrochloride [who-dd]

    16. ((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 Hydrochloride (1:1)

    17. ((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 Hydrochloride (1:1)

    18. ((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 Monohydrochloride

    19. (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 Hydrochloride

    2.4 Create Date
    2015-06-29
    3 Chemical and Physical Properties
    Molecular Weight 487.4 g/mol
    Molecular Formula C23H24Cl2N6O2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area88.9
    Heavy Atom Count33
    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 Count2
    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 ATC Code

    N05

    API Reference Price

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    19-Feb-2024
    19-Feb-2024
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