Chemical Properties of Clozapine (CAS 5786-21-0)

Clozapine

InChI
InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
InChI Key
QZUDBNBUXVUHMW-UHFFFAOYSA-N
Formula
C18H19ClN4
SMILES
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1
Molecular Weight1
326.82
CAS
5786-21-0
Other Names
  • 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-
  • 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
  • 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e] [1,4]diazepine (clozapine)
  • Asaleptin
  • Azaleptine
  • Clozapin
  • Clozaril
  • Fazaclo
  • HF-1854
  • Iprox
  • Leponex
  • Lepotex
  • W-801
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Physical Properties

Property Value Unit Source
log10WS -3.24 Aq. Solubility Prediction
logPoct/wat 3.723 Crippen Calculated Property
McVol 243.100 ml/mol McGowan Calculated Property
Inp [2859.00; 3093.20]   Show Hide
Inp 2859.00 NIST
Inp 3093.20 NIST
Inp 2893.00 NIST
Inp 2873.00 NIST
Inp 2915.00 NIST
Inp 3093.20 NIST
Inp 2893.00 NIST
Inp 2859.00 NIST
Tfus 456.78 K Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 35.90 kJ/mol 457.10 NIST

Similar Compounds

Desmethylclozapine. Olanzapine. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. narwedine. Senecionine, 12-acetyl. Acetylgynuramine. Eruciflorine. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. 21-Hydroxyintergerrimine. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. (E)-Eruciflorine. Benazepril Me. mexazolam. Dihydromorphine , di(trimehylsilyl) ether.

Find more compounds similar to Clozapine.

Sources

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