maprotiline   Click here for help

GtoPdb Ligand ID: 2402

Synonyms: maprotiline hydrochloride
Approved drug
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
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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
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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 Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1980))
International Nonproprietary Names Click here for help
INN number INN
2763 maprotiline
Synonyms Click here for help
maprotiline hydrochloride
Database Links Click here for help
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