Donepezil hydrochloride

Reversible acetylcholinesterase inhibitor used for the symptomatic treatment of dementia associated with Alzheimer's disease. It inhibits acetylcholinesterase, increasing acetylcholine concentrations in the central nervous system and enhancing cholinergic neurotransmission

Compound Structure

CAS Number: 120011-70-3

Molecular Mass: 416.0 g/mol

Formula: C24H30ClNO3

Smiles: COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl

Synonymes:

Bioactivity: Acetylcholinesterase (AChE) inhibitor; anti-dementia agent

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Propanol 278.15 - 0.6327 [28]
1-Propanol 283.15 - 0.86 [28]
1-Propanol 288.15 - 1.196 [28]
1-Propanol 293.15 - 1.675 [28]
1-Propanol 298.15 - 2.237 [28]
1-Propanol 303.15 - 2.992 [28]
1-Propanol 308.15 - 4.074 [28]
1-Propanol 313.15 - 5.544 [28]
1-Propanol 318.15 - 7.243 [28]
1-Propanol 323.15 - 9.714 [28]
1-Propanol 328.15 - 12.97 [28]
1-Propanol 333.15 - 17.2 [28]
Dimethylformamide 278.15 - 6.554 [28]
Dimethylformamide 283.15 - 7.391 [28]
Dimethylformamide 288.15 - 8.284 [28]
Dimethylformamide 293.15 - 9.347 [28]
Dimethylformamide 298.15 - 10.55 [28]
Dimethylformamide 303.15 - 11.87 [28]
Dimethylformamide 308.15 - 13.41 [28]
Dimethylformamide 313.15 - 15.15 [28]
Dimethylformamide 318.15 - 17.17 [28]
Dimethylformamide 323.15 - 19.33 [28]
Dimethylformamide 328.15 - 21.87 [28]
Dimethylformamide 333.15 - 24.79 [28]
Ethanol 278.15 - 2.11 [28]
Ethanol 283.15 - 2.731 [28]
Ethanol 288.15 - 3.469 [28]
Ethanol 293.15 - 4.345 [28]
Ethanol 298.15 - 5.451 [28]
Ethanol 303.15 - 6.712 [28]
Ethanol 308.15 - 8.255 [28]
Ethanol 313.15 - 10.1 [28]
Ethanol 318.15 - 12.27 [28]
Ethanol 323.15 - 14.82 [28]
Ethanol 328.15 - 17.81 [28]
Ethanol 333.15 - 21.05 [28]
Methanol 278.15 - 17.5 [28]
Methanol 283.15 - 23.1 [28]
Methanol 288.15 - 29.74 [28]
Methanol 293.15 - 38.62 [28]
Methanol 298.15 - 49.51 [28]
Methanol 303.15 - 64.92 [28]
Methanol 308.15 - 81.66 [28]
Methanol 313.15 - 105.9 [28]
Methanol 318.15 - 134.3 [28]
Methanol 323.15 - 171.2 [28]
Methanol 328.15 - 217.7 [28]
Methanol 333.15 - 278.6 [28]

Molecule 3D descriptors

Descriptor Value
PMI1 1141.3982
PMI2 9550.1763
PMI3 10277.2587
NPR1 0.1111
NPR2 0.9293
RadiusOfGyration 5.0205
InertialShapeFactor 0.0008
Eccentricity 0.9938
Asphericity 0.7037
SpherocityIndex 0.1096
PBF 0.8026