amoxapine   

GtoPdb Ligand ID: 201

Synonyms: amoxipine | Asendin®
amoxapine is an approved drug (FDA (1980))
Compound class: Synthetic organic
Comment: Amoxapine is a dibenzoxazepine-derivative tricyclic antidepressant.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 36.86
Molecular weight 313.1
XLogP 3.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1
Isomeric SMILES Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1
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
InChI Key QWGDMFLQWFTERH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1980))
IUPAC Name
8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzoxazepine
International Nonproprietary Names
INN number INN
3049 amoxapine
Synonyms
amoxipine | Asendin®
Database Links
BindingDB Ligand 22870
CAS Registry No. 14028-44-5
ChEBI CHEBI:2675
ChEMBL Ligand CHEMBL1113
DrugBank Ligand DB00543
DrugCentral Ligand 191
GtoPdb PubChem SID 135649941
PubChem CID 2170
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Wikipedia Amoxapine