Amoxapine

C17H16ClN3OCAS 14028-44-5313.78 g/mol

Open in Covalent MOL file
ClNNHNO
AmidineAryl halideEtherSecondary amine

Properties

Molecular formula
C17H16ClN3O
Molar mass
313.78 g/mol
Exact mass
313.0982 Da
Melting point
175.5 °C
pKa
8.71
logP
3.43Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
14028-44-5
SMILES
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2
InChIKey
QWGDMFLQWFTERH-UHFFFAOYSA-N
InChI
InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2

Weigh it out

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

Names and synonyms

9 names
  • Asendin
  • Asendis
  • Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(1-piperazinyl)-
  • 2-Chloro-11-(1-piperazinyl)dibenz[b,f][1,4]oxazepine
  • CL 67772
  • Demolox
  • Moxadil
  • Amoxan
  • 2-Chloro-11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepine

Work with Amoxapine

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

Loxapine succinate27833-64-366 % similar N-Desmethylclozapine6104-71-857 % similar 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one3158-91-657 % similar Norquetiapine5747-48-847 % similar Clozapine5786-21-045 % similar 11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride111974-74-445 % similar Clozapine N-oxide34233-69-739 % similar Quetiapine dimer impurity945668-94-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook