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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


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02-Mar-2024
02-Mar-2024
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