Clozapine N-oxide

C₁₈H₁₉ClN₄OCAS 34233-69-7342.83 g/mol

Open in Covalent MOL file

Amidine Aryl halide Quaternary ammonium Secondary amine

Properties

Molecular formula: C₁₈H₁₉ClN₄O
Molar mass: 342.83 g/mol
Exact mass: 342.1247 Da
logP: 3.74Crippen estimate
Polar surface area: 50.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation95% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

34233-69-7

SMILES

C[N+]1([O-])CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1

InChIKey

OGUCZBIQSYYWEF-UHFFFAOYSA-N

InChI

InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)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

3 names

5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-4-oxido-1-piperazinyl)-
5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-, N-oxide
8-Chloro-11-(4-methyl-4-oxido-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine

Work with Clozapine N-oxide

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

Clozapine5786-21-069 % similar N-Desmethylclozapine6104-71-869 % similar 8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one50892-62-154 % similar Amoxapine14028-44-539 % similar Lobenzarit63329-53-337 % similar Olanzapine132539-06-136 % similar Loxapine succinate27833-64-334 % similar 3-Chloroiminodibenzyl32943-25-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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