chempirical

Loxapine succinate

C22H24ClN3O5CAS 27833-64-3445.90 g/mol

Open in Covalent MOL file
NNNOClOHOOOH
AmidineAryl halideCarboxylic acidEtherTertiary amine

Properties

Molecular formula
C22H24ClN3O5
Molar mass
445.90 g/mol
Exact mass
445.1404 Da
logP
3.71Crippen estimate
Polar surface area
102.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3

Identifiers

CAS number
27833-64-3
SMILES
CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O
InChIKey
YQZBAXDVDZTKEQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)

Weigh it out

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

Names and synonyms

9 names
  • Butanedioic acid, compd. with 2-chloro-11-(4-methyl-1-piperazinyl)dibenz[b,f][1,4]oxazepine (1:1)
  • Succinic acid, compd. with 2-chloro-11-(4-methyl-1-piperazinyl)dibenz[b,f][1,4]oxazepine (1:1)
  • Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-, butanedioate (1:1)
  • CL 71563
  • 2-Chloro-11-(4-methyl-1-piperazinyl)-dibenz[b,f][1,4]oxazepine succinate
  • Loxapac
  • Loxitane
  • Loxitane capsules
  • Daxolin

Work with Loxapine succinate

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

Amoxapine14028-44-566 % similar 2-Chlorodibenz[B,F][1,4]oxazepin-11(10H)-one3158-91-650 % similar Clozapine5786-21-049 % similar Asenapine maleate85650-56-240 % similar Olanzapine132539-06-138 % similar Mcpb94-81-538 % similar N-Desmethylclozapine6104-71-838 % similar Asenapine65576-45-637 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook