imipramine   Click here for help

GtoPdb Ligand ID: 357

Synonyms: imidobenzyle | Tofranil®
Approved drug PDB Ligand
imipramine is an approved drug (FDA (1959))
Compound class: Synthetic organic
Comment: Imipramine is a tricyclic antidepressant (TCA).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 6.48
Molecular weight 280.19
XLogP 4.03
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCCN1c2ccccc2CCc2c1cccc2)C
Isomeric SMILES CN(CCCN1c2ccccc2CCc2c1cccc2)C
InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
InChI Key BCGWQEUPMDMJNV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1959))
IUPAC Name Click here for help
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
International Nonproprietary Names Click here for help
INN number INN
793 imipramine
Synonyms Click here for help
imidobenzyle | Tofranil®
Database Links Click here for help
BindingDB Ligand 50010859
CAS Registry No. 50-49-7
ChEBI CHEBI:47499
ChEMBL Ligand CHEMBL11
DrugBank Ligand DB00458
DrugCentral Ligand 1427, 1427
GtoPdb PubChem SID 135650384
PubChem CID 3696
RCSB PDB Ligand IXX
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Wikipedia Imipramine