Clozapine

An orally administered atypical antipsychotic used primarily for treatment-resistant schizophrenia and for reducing recurrent suicidal behavior in patients with schizophrenia or schizoaffective disorder. Clozapine acts on multiple neurotransmitter receptors, including dopamine, serotonin, histamine, muscarinic, and adrenergic receptors. It is particularly effective in patients who have not responded adequately to other antipsychotics and has a relatively low risk of extrapyramidal adverse effects. Serious risks include severe neutropenia, myocarditis, seizures, metabolic disturbances, and gastrointestinal hypomotility, requiring careful clinical monitoring

Compound Structure

CAS Number: 5786-21-0

Molecular Mass: 326.8 g/mol

Formula: C18H19ClN4

Smiles: CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1

Synonymes:

Bioactivity: Atypical antipsychotic; antagonist of serotonin 5-HT2A/5-HT2C and dopamine D2/D4 receptors; multi-receptor modulator with antihistaminic, anticholinergic, and antiadrenergic activity

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,2-Dichloroethane 283.15 - 49.37 [141]
1,2-Dichloroethane 288.15 - 66.5 [141]
1,2-Dichloroethane 293.15 - 76.94 [141]
1,2-Dichloroethane 298.15 - 90.4 [141]
1,2-Dichloroethane 303.15 - 102.0 [141]
1,2-Dichloroethane 308.15 - 119.5 [141]
1,2-Dichloroethane 313.15 - 130.7 [141]
1,2-Dichloroethane 318.15 - 161.4 [141]
1,2-Dichloroethane 323.15 - 194.4 [141]
1,2-Dichloroethane 328.15 - 241.0 [141]
1,2-Dichloroethane 333.15 - 273.0 [141]
1-Butanol 278.15 - 23.48 [139]
1-Butanol 278.15 - 29.05 [140]
1-Butanol 283.15 - 27.64 [139]
1-Butanol 283.15 - 32.39 [140]
1-Butanol 288.15 - 30.86 [139]
1-Butanol 288.15 - 36.34 [140]
1-Butanol 293.15 - 35.05 [139]
1-Butanol 293.15 - 40.65 [140]
1-Butanol 298.15 - 40.35 [139]
1-Butanol 298.15 - 45.52 [140]
1-Butanol 303.15 - 46.14 [139]
1-Butanol 303.15 - 50.43 [140]
1-Butanol 308.15 - 51.82 [139]
1-Butanol 308.15 - 55.19 [140]
1-Butanol 313.15 - 58.51 [139]
1-Butanol 313.15 - 61.19 [140]
1-Butanol 318.15 - 68.05 [139]
1-Butanol 318.15 - 67.22 [140]
1-Butanol 323.15 - 76.87 [139]
1-Butanol 323.15 - 73.76 [140]
1-Pentanol 278.15 - 22.72 [139]
1-Pentanol 278.15 - 27.96 [140]
1-Pentanol 283.15 - 27.81 [139]
1-Pentanol 283.15 - 31.43 [140]
1-Pentanol 288.15 - 32.72 [139]
1-Pentanol 288.15 - 35.23 [140]
1-Pentanol 293.15 - 36.96 [139]
1-Pentanol 293.15 - 39.28 [140]
1-Pentanol 298.15 - 41.24 [139]
1-Pentanol 298.15 - 43.59 [140]
1-Pentanol 303.15 - 46.22 [139]
1-Pentanol 303.15 - 48.29 [140]
1-Pentanol 308.15 - 53.56 [139]
1-Pentanol 308.15 - 52.63 [140]
1-Pentanol 313.15 - 61.33 [139]
1-Pentanol 313.15 - 58.33 [140]
1-Pentanol 318.15 - 70.64 [139]
1-Pentanol 318.15 - 64.19 [140]
1-Pentanol 323.15 - 79.74 [139]
1-Pentanol 323.15 - 69.45 [140]
1-Propanol 278.15 - 25.77 [139]
1-Propanol 278.15 - 31.65 [140]
1-Propanol 283.15 - 28.64 [139]
1-Propanol 283.15 - 36.24 [140]
1-Propanol 283.15 - 27.43 [141]
1-Propanol 288.15 - 32.47 [139]
1-Propanol 288.15 - 40.93 [140]
1-Propanol 288.15 - 27.33 [141]
1-Propanol 293.15 - 36.59 [139]
1-Propanol 293.15 - 46.5 [140]
1-Propanol 293.15 - 29.41 [141]
1-Propanol 298.15 - 40.73 [139]
1-Propanol 298.15 - 52.05 [140]
1-Propanol 298.15 - 33.01 [141]
1-Propanol 303.15 - 47.46 [139]
1-Propanol 303.15 - 58.59 [140]
1-Propanol 303.15 - 34.64 [141]
1-Propanol 308.15 - 53.38 [139]
1-Propanol 308.15 - 64.75 [140]
1-Propanol 308.15 - 37.45 [141]
1-Propanol 313.15 - 64.24 [139]
1-Propanol 313.15 - 71.44 [140]
1-Propanol 313.15 - 47.1 [141]
1-Propanol 318.15 - 72.65 [139]
1-Propanol 318.15 - 79.58 [140]
1-Propanol 318.15 - 54.62 [141]
1-Propanol 323.15 - 82.01 [139]
1-Propanol 323.15 - 88.32 [140]
1-Propanol 323.15 - 60.98 [141]
1-Propanol 328.15 - 73.15 [141]
1-Propanol 333.15 - 84.91 [141]
2-Butanol 278.15 - 16.68 [140]
2-Butanol 283.15 - 18.4 [140]
2-Butanol 288.15 - 20.33 [140]
2-Butanol 293.15 - 22.07 [140]
2-Butanol 298.15 - 24.21 [140]
2-Butanol 303.15 - 26.38 [140]
2-Butanol 308.15 - 28.64 [140]
2-Butanol 313.15 - 31.36 [140]
2-Butanol 318.15 - 34.09 [140]
2-Butanol 323.15 - 37.07 [140]
2-Methoxyethanol 278.15 - 141.6 [139]
2-Methoxyethanol 283.15 - 151.5 [139]
2-Methoxyethanol 288.15 - 158.1 [139]
2-Methoxyethanol 293.15 - 169.7 [139]
2-Methoxyethanol 298.15 - 181.6 [139]
2-Methoxyethanol 303.15 - 193.8 [139]
2-Methoxyethanol 308.15 - 206.0 [139]
2-Methoxyethanol 313.15 - 217.4 [139]
2-Methoxyethanol 318.15 - 234.1 [139]
2-Methoxyethanol 323.15 - 254.9 [139]
Acetone 278.15 - 53.18 [140]
Acetone 283.15 - 60.69 [140]
Acetone 283.15 - 35.98 [141]
Acetone 288.15 - 68.75 [140]
Acetone 288.15 - 41.35 [141]
Acetone 293.15 - 77.85 [140]
Acetone 293.15 - 54.77 [141]
Acetone 298.15 - 88.93 [140]
Acetone 298.15 - 62.43 [141]
Acetone 303.15 - 100.1 [140]
Acetone 303.15 - 72.95 [141]
Acetone 308.15 - 112.0 [140]
Acetone 308.15 - 79.68 [141]
Acetone 313.15 - 125.9 [140]
Acetone 313.15 - 88.4 [141]
Acetone 318.15 - 143.0 [140]
Acetone 318.15 - 103.4 [141]
Acetone 323.15 - 160.3 [140]
Acetone 323.15 - 121.7 [141]
Acetonitrile 278.15 - 13.56 [140]
Acetonitrile 283.15 - 14.82 [140]
Acetonitrile 288.15 - 16.33 [140]
Acetonitrile 293.15 - 17.8 [140]
Acetonitrile 298.15 - 19.63 [140]
Acetonitrile 303.15 - 21.17 [140]
Acetonitrile 308.15 - 23.23 [140]
Acetonitrile 313.15 - 25.11 [140]
Acetonitrile 318.15 - 27.29 [140]
Acetonitrile 323.15 - 29.41 [140]
Amyl Acetate 278.15 - 29.82 [139]
Amyl Acetate 283.15 - 32.29 [139]
Amyl Acetate 288.15 - 36.62 [139]
Amyl Acetate 293.15 - 39.53 [139]
Amyl Acetate 298.15 - 44.31 [139]
Amyl Acetate 303.15 - 49.25 [139]
Amyl Acetate 308.15 - 53.08 [139]
Amyl Acetate 313.15 - 59.41 [139]
Amyl Acetate 318.15 - 65.51 [139]
Amyl Acetate 323.15 - 73.24 [139]
Benzene 283.15 - 21.84 [141]
Benzene 288.15 - 23.05 [141]
Benzene 293.15 - 25.03 [141]
Benzene 298.15 - 28.39 [141]
Benzene 303.15 - 35.49 [141]
Benzene 308.15 - 43.41 [141]
Benzene 313.15 - 55.35 [141]
Benzene 318.15 - 65.63 [141]
Benzene 323.15 - 75.16 [141]
Benzene 328.15 - 93.58 [141]
Benzene 333.15 - 109.4 [141]
Butyl acetate 278.15 - 30.78 [139]
Butyl acetate 283.15 - 34.62 [139]
Butyl acetate 288.15 - 37.16 [139]
Butyl acetate 293.15 - 41.23 [139]
Butyl acetate 298.15 - 45.56 [139]
Butyl acetate 303.15 - 50.12 [139]
Butyl acetate 308.15 - 56.93 [139]
Butyl acetate 313.15 - 63.49 [139]
Butyl acetate 318.15 - 68.48 [139]
Butyl acetate 323.15 - 77.76 [139]
Chloroform 278.15 - 276.6 [140]
Chloroform 283.15 - 287.9 [140]
Chloroform 288.15 - 299.8 [140]
Chloroform 293.15 - 312.1 [140]
Chloroform 298.15 - 324.1 [140]
Chloroform 303.15 - 336.2 [140]
Chloroform 308.15 - 348.0 [140]
Chloroform 313.15 - 362.5 [140]
Chloroform 318.15 - 375.9 [140]
Chloroform 323.15 - 389.6 [140]
Dimethyl sulfoxide 293.15 - 291.7 [141]
Dimethyl sulfoxide 298.15 - 313.2 [141]
Dimethyl sulfoxide 303.15 - 348.2 [141]
Dimethyl sulfoxide 308.15 - 414.2 [141]
Dimethyl sulfoxide 313.15 - 473.8 [141]
Dimethyl sulfoxide 318.15 - 549.7 [141]
Dimethyl sulfoxide 323.15 - 605.9 [141]
Dimethyl sulfoxide 328.15 - 721.2 [141]
Dimethyl sulfoxide 333.15 - 839.2 [141]
Dimethylformamide 278.15 - 453.5 [140]
Dimethylformamide 283.15 - 477.7 [140]
Dimethylformamide 283.15 - 363.3 [141]
Dimethylformamide 288.15 - 505.0 [140]
Dimethylformamide 288.15 - 392.8 [141]
Dimethylformamide 293.15 - 532.3 [140]
Dimethylformamide 293.15 - 416.1 [141]
Dimethylformamide 298.15 - 560.6 [140]
Dimethylformamide 298.15 - 436.0 [141]
Dimethylformamide 303.15 - 589.9 [140]
Dimethylformamide 303.15 - 472.7 [141]
Dimethylformamide 308.15 - 619.2 [140]
Dimethylformamide 308.15 - 522.1 [141]
Dimethylformamide 313.15 - 649.6 [140]
Dimethylformamide 313.15 - 578.5 [141]
Dimethylformamide 318.15 - 679.7 [140]
Dimethylformamide 318.15 - 634.1 [141]
Dimethylformamide 323.15 - 713.2 [140]
Dimethylformamide 323.15 - 696.8 [141]
Dimethylformamide 328.15 - 751.5 [141]
Dimethylformamide 333.15 - 835.9 [141]
Ethanol 278.15 - 26.68 [139]
Ethanol 278.15 - 30.5 [140]
Ethanol 283.15 - 30.43 [139]
Ethanol 283.15 - 33.56 [140]
Ethanol 283.15 - 32.4 [141]
Ethanol 288.15 - 32.87 [139]
Ethanol 288.15 - 37.38 [140]
Ethanol 288.15 - 32.88 [141]
Ethanol 293.15 - 36.1 [139]
Ethanol 293.15 - 41.47 [140]
Ethanol 293.15 - 36.28 [141]
Ethanol 298.15 - 40.42 [139]
Ethanol 298.15 - 45.58 [140]
Ethanol 298.15 - 39.38 [141]
Ethanol 303.15 - 45.26 [139]
Ethanol 303.15 - 49.75 [140]
Ethanol 303.15 - 42.81 [141]
Ethanol 308.15 - 50.98 [139]
Ethanol 308.15 - 54.94 [140]
Ethanol 308.15 - 46.5 [141]
Ethanol 313.15 - 57.96 [139]
Ethanol 313.15 - 59.8 [140]
Ethanol 313.15 - 49.16 [141]
Ethanol 318.15 - 66.03 [139]
Ethanol 318.15 - 65.75 [140]
Ethanol 318.15 - 56.84 [141]
Ethanol 323.15 - 73.25 [139]
Ethanol 323.15 - 71.64 [140]
Ethanol 323.15 - 61.54 [141]
Ethanol 328.15 - 69.94 [141]
Ethanol 333.15 - 86.13 [141]
Ethyl acetate 278.15 - 30.77 [139]
Ethyl acetate 278.15 - 37.44 [140]
Ethyl acetate 283.15 - 34.27 [139]
Ethyl acetate 283.15 - 41.44 [140]
Ethyl acetate 288.15 - 38.88 [139]
Ethyl acetate 288.15 - 45.94 [140]
Ethyl acetate 293.15 - 43.27 [139]
Ethyl acetate 293.15 - 51.45 [140]
Ethyl acetate 298.15 - 49.09 [139]
Ethyl acetate 298.15 - 56.96 [140]
Ethyl acetate 303.15 - 53.75 [139]
Ethyl acetate 303.15 - 64.09 [140]
Ethyl acetate 308.15 - 60.45 [139]
Ethyl acetate 308.15 - 69.95 [140]
Ethyl acetate 313.15 - 67.25 [139]
Ethyl acetate 313.15 - 77.06 [140]
Ethyl acetate 318.15 - 76.94 [139]
Ethyl acetate 318.15 - 84.88 [140]
Ethyl acetate 323.15 - 87.03 [139]
Ethyl acetate 323.15 - 93.19 [140]
Ethyl formate 278.15 - 137.2 [140]
Ethyl formate 283.15 - 146.4 [140]
Ethyl formate 288.15 - 156.0 [140]
Ethyl formate 293.15 - 166.1 [140]
Ethyl formate 298.15 - 176.7 [140]
Ethyl formate 303.15 - 185.8 [140]
Ethyl formate 308.15 - 196.0 [140]
Ethyl formate 313.15 - 207.0 [140]
Ethyl formate 318.15 - 218.3 [140]
Ethyl formate 323.15 - 233.0 [140]
Glycol monoethyl ether 278.15 - 127.2 [139]
Glycol monoethyl ether 283.15 - 138.6 [139]
Glycol monoethyl ether 288.15 - 146.8 [139]
Glycol monoethyl ether 293.15 - 156.0 [139]
Glycol monoethyl ether 298.15 - 167.7 [139]
Glycol monoethyl ether 303.15 - 175.5 [139]
Glycol monoethyl ether 308.15 - 186.1 [139]
Glycol monoethyl ether 313.15 - 198.3 [139]
Glycol monoethyl ether 318.15 - 214.4 [139]
Glycol monoethyl ether 323.15 - 233.3 [139]
Glycol monopropyl ether 278.15 - 127.1 [139]
Glycol monopropyl ether 283.15 - 133.9 [139]
Glycol monopropyl ether 288.15 - 139.5 [139]
Glycol monopropyl ether 293.15 - 150.2 [139]
Glycol monopropyl ether 298.15 - 156.4 [139]
Glycol monopropyl ether 303.15 - 164.3 [139]
Glycol monopropyl ether 308.15 - 174.0 [139]
Glycol monopropyl ether 313.15 - 182.7 [139]
Glycol monopropyl ether 318.15 - 189.8 [139]
Glycol monopropyl ether 323.15 - 202.4 [139]
Isoamyl Alcohol 278.15 - 25.44 [140]
Isoamyl Alcohol 283.15 - 28.47 [140]
Isoamyl Alcohol 288.15 - 31.43 [140]
Isoamyl Alcohol 293.15 - 35.24 [140]
Isoamyl Alcohol 298.15 - 38.59 [140]
Isoamyl Alcohol 303.15 - 42.65 [140]
Isoamyl Alcohol 308.15 - 46.8 [140]
Isoamyl Alcohol 313.15 - 51.68 [140]
Isoamyl Alcohol 318.15 - 56.63 [140]
Isoamyl Alcohol 323.15 - 63.12 [140]
Isobutanol 278.15 - 24.04 [140]
Isobutanol 283.15 - 26.29 [140]
Isobutanol 288.15 - 28.99 [140]
Isobutanol 293.15 - 31.67 [140]
Isobutanol 298.15 - 35.06 [140]
Isobutanol 303.15 - 38.2 [140]
Isobutanol 308.15 - 41.86 [140]
Isobutanol 313.15 - 45.8 [140]
Isobutanol 318.15 - 49.75 [140]
Isobutanol 323.15 - 54.05 [140]
Isopropanol 278.15 - 12.09 [140]
Isopropanol 283.15 - 13.94 [140]
Isopropanol 283.15 - 11.77 [141]
Isopropanol 288.15 - 15.81 [140]
Isopropanol 288.15 - 11.96 [141]
Isopropanol 293.15 - 18.0 [140]
Isopropanol 293.15 - 12.69 [141]
Isopropanol 298.15 - 20.79 [140]
Isopropanol 298.15 - 13.95 [141]
Isopropanol 303.15 - 23.12 [140]
Isopropanol 303.15 - 15.87 [141]
Isopropanol 308.15 - 26.02 [140]
Isopropanol 308.15 - 18.56 [141]
Isopropanol 313.15 - 29.14 [140]
Isopropanol 313.15 - 21.13 [141]
Isopropanol 318.15 - 32.69 [140]
Isopropanol 318.15 - 24.71 [141]
Isopropanol 323.15 - 37.26 [140]
Isopropanol 323.15 - 26.72 [141]
Isopropanol 328.15 - 35.02 [141]
Isopropanol 333.15 - 42.44 [141]
Methanol 278.15 - 52.28 [140]
Methanol 283.15 - 57.7 [140]
Methanol 283.15 - 52.38 [141]
Methanol 288.15 - 62.63 [140]
Methanol 288.15 - 52.91 [141]
Methanol 293.15 - 68.28 [140]
Methanol 293.15 - 57.9 [141]
Methanol 298.15 - 74.57 [140]
Methanol 298.15 - 63.46 [141]
Methanol 303.15 - 80.48 [140]
Methanol 303.15 - 70.79 [141]
Methanol 308.15 - 87.08 [140]
Methanol 308.15 - 78.01 [141]
Methanol 313.15 - 95.33 [140]
Methanol 313.15 - 81.8 [141]
Methanol 318.15 - 102.8 [140]
Methanol 318.15 - 85.85 [141]
Methanol 323.15 - 110.3 [140]
Methanol 323.15 - 92.63 [141]
Methanol 328.15 - 111.8 [141]
Methyl acetate 278.15 - 26.07 [139]
Methyl acetate 278.15 - 52.83 [140]
Methyl acetate 283.15 - 29.76 [139]
Methyl acetate 283.15 - 59.87 [140]
Methyl acetate 288.15 - 33.31 [139]
Methyl acetate 288.15 - 66.37 [140]
Methyl acetate 293.15 - 39.06 [139]
Methyl acetate 293.15 - 72.67 [140]
Methyl acetate 298.15 - 44.8 [139]
Methyl acetate 298.15 - 79.2 [140]
Methyl acetate 303.15 - 51.14 [139]
Methyl acetate 303.15 - 87.2 [140]
Methyl acetate 308.15 - 58.19 [139]
Methyl acetate 308.15 - 94.71 [140]
Methyl acetate 313.15 - 66.6 [139]
Methyl acetate 313.15 - 103.1 [140]
Methyl acetate 318.15 - 76.08 [139]
Methyl acetate 318.15 - 113.3 [140]
Methyl acetate 323.15 - 88.8 [139]
Methyl acetate 323.15 - 123.2 [140]
Methyl ethyl ketone 278.15 - 82.19 [140]
Methyl ethyl ketone 283.15 - 91.81 [140]
Methyl ethyl ketone 288.15 - 103.4 [140]
Methyl ethyl ketone 293.15 - 114.0 [140]
Methyl ethyl ketone 298.15 - 127.1 [140]
Methyl ethyl ketone 303.15 - 139.9 [140]
Methyl ethyl ketone 308.15 - 155.4 [140]
Methyl ethyl ketone 313.15 - 170.7 [140]
Methyl ethyl ketone 318.15 - 187.8 [140]
Methyl ethyl ketone 323.15 - 207.3 [140]
N-Methyl-2-pyrrolidone 283.15 - 108.1 [141]
N-Methyl-2-pyrrolidone 288.15 - 144.5 [141]
N-Methyl-2-pyrrolidone 293.15 - 169.6 [141]
N-Methyl-2-pyrrolidone 298.15 - 188.0 [141]
N-Methyl-2-pyrrolidone 303.15 - 218.0 [141]
N-Methyl-2-pyrrolidone 308.15 - 247.7 [141]
N-Methyl-2-pyrrolidone 313.15 - 271.4 [141]
N-Methyl-2-pyrrolidone 318.15 - 300.4 [141]
N-Methyl-2-pyrrolidone 323.15 - 363.4 [141]
N-Methyl-2-pyrrolidone 328.15 - 420.7 [141]
N-Methyl-2-pyrrolidone 333.15 - 441.9 [141]
Propyl acetate 278.15 - 33.52 [139]
Propyl acetate 283.15 - 37.38 [139]
Propyl acetate 288.15 - 40.7 [139]
Propyl acetate 293.15 - 45.28 [139]
Propyl acetate 298.15 - 49.99 [139]
Propyl acetate 303.15 - 55.55 [139]
Propyl acetate 308.15 - 62.47 [139]
Propyl acetate 313.15 - 69.75 [139]
Propyl acetate 318.15 - 76.32 [139]
Propyl acetate 323.15 - 86.05 [139]
Tetrahydrofuran 278.15 - 272.5 [140]
Tetrahydrofuran 283.15 - 291.8 [140]
Tetrahydrofuran 288.15 - 312.2 [140]
Tetrahydrofuran 293.15 - 332.9 [140]
Tetrahydrofuran 298.15 - 354.9 [140]
Tetrahydrofuran 303.15 - 376.7 [140]
Tetrahydrofuran 308.15 - 399.6 [140]
Tetrahydrofuran 313.15 - 425.0 [140]
Tetrahydrofuran 318.15 - 448.9 [140]
Tetrahydrofuran 323.15 - 474.1 [140]
Toluene 283.15 - 10.99 [141]
Toluene 288.15 - 14.44 [141]
Toluene 293.15 - 16.98 [141]
Toluene 298.15 - 20.03 [141]
Toluene 303.15 - 22.99 [141]
Toluene 308.15 - 26.18 [141]
Toluene 313.15 - 31.83 [141]
Toluene 318.15 - 35.78 [141]
Toluene 323.15 - 42.12 [141]
Toluene 328.15 - 49.41 [141]
Toluene 333.15 - 60.59 [141]

Molecule 3D descriptors

Descriptor Value
PMI1 1599.1707
PMI2 3281.9998
PMI3 4498.8562
NPR1 0.3555
NPR2 0.7295
RadiusOfGyration 3.7881
InertialShapeFactor 0.0005
Eccentricity 0.9347
Asphericity 0.2892
SpherocityIndex 0.2092
PBF 0.8834