maprotiline   

GtoPdb Ligand ID: 2402

Synonyms: maprotiline hydrochloride
maprotiline is an approved drug (FDA (1980))
Compound class: Synthetic organic
Comment: Maprotiline is a tetracyclic antidepressants (TeCA).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 12.03
Molecular weight 277.18
XLogP 5.06
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CNCCCC12CCC(c3c1cccc3)c1c2cccc1
Isomeric SMILES CNCCCC12CCC(c3c1cccc3)c1c2cccc1
InChI InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
InChI Key QSLMDECMDJKHMQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1980))
International Nonproprietary Names
INN number INN
2763 maprotiline
Synonyms
maprotiline hydrochloride
Database Links
BindingDB Ligand 35228
CAS Registry No. 10262-69-8 (source: Scifinder)
ChEBI CHEBI:127713
ChEMBL Ligand CHEMBL21731
DrugBank Ligand DB00934
DrugCentral Ligand 1634
GtoPdb PubChem SID 135650566
PubChem CID 4011
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Wikipedia Maprotiline