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Daridorexant hydrochloride

CAT: 0926-FD00147-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FD00147-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1792993-84-0
Smiles
Cl.O=C (C1=CC (OC) =CC=C1N2N=CC=N2) N3CCCC3 (C4=NC=5C=CC (Cl) =C (C5N4) C) C
Molecular Formula
C23H23CIN6O2.ClH
Molecular Weight
487.38 g/mol
Controlled
Yes

Chemical Information

Daridorexant Hydrochloride

See also: Daridorexant (has active moiety).

CAS Number1792993-84-0
PubChem CID91809208
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
Molecular FormulaC23H24Cl2N6O2
Molecular Weight487.4
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity693
SMILES
CC1=C(C=CC2=C1N=C(N2)[C@@]3(CCCN3C(=O)C4=C(C=CC(=C4)OC)N5N=CC=N5)C)Cl.Cl
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
InChIKey
HJVGDXBEMFHGKI-BQAIUKQQSA-N
Chemical Structure
2D Structure
2D structure of Daridorexant Hydrochloride
CAS: 1792993-84-0
CID: 91809208
Formula: C23H24Cl2N6O2
MW: 487.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass486.1337794
Monoisotopic Mass486.1337794
Topological Polar Surface Area88.9 Ų
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
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-O-59077Daridorexant-d6
CS-O-59075Daridorexant-d3
413471Daridorexant free base
RM-N164029-01Nemorexant (Daridorexant) Impurity 29
RM-N164006-01Nemorexant (Daridorexant) Impurity 6
RM-N164034-01Nemorexant (Daridorexant) Impurity 34
AR-D06139-01Daridorexant (HCl salt)
AR-D08070-01Daridorexant Nitroso Impurity
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