chempirical

Clozapine

C18H19ClN4CAS 5786-21-0326.83 g/mol

Open in Covalent MOL file
NNNClNH
AmidineAryl halideSecondary amineTertiary amine

Properties

Molecular formula
C18H19ClN4
Molar mass
326.83 g/mol
Exact mass
326.1298 Da
Melting point
183–184 °C
logP
3.72Crippen estimate
Polar surface area
30.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Identifiers

CAS number
5786-21-0
SMILES
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1
InChIKey
QZUDBNBUXVUHMW-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 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
  • HF 1854
  • Leponex
  • Clozapin
  • Iprox
  • Clozaril
  • Asaleptin
  • Azaleptine
  • Cloril
  • Fazaclo
  • Klozapol
  • Azaleptin
  • Sizopin
  • Clozapex
  • Apo-clozapine

Work with Clozapine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Desmethylclozapine6104-71-879 % similar Clozapine N-oxide34233-69-769 % similar 8-Chloro-5,10-dihydro-11H-dibenzo[B,E][1,4]diazepin-11-one50892-62-156 % similar Olanzapine132539-06-153 % similar Loxapine succinate27833-64-349 % similar Amoxapine14028-44-545 % similar Lobenzarit63329-53-340 % similar Norquetiapine5747-48-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook