clomipramine   

GtoPdb Ligand ID: 2398

Synonyms: Anafranil® | G-34586
clomipramine is an approved drug (FDA (1989))
Compound class: Synthetic organic
Comment: Clomipramine is a tricyclic antidepressant.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 6.48
Molecular weight 314.15
XLogP 4.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C
Isomeric SMILES CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C
InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChI Key GDLIGKIOYRNHDA-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1989))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
International Nonproprietary Names
INN number INN
2238 clomipramine
Synonyms
Anafranil® | G-34586
Comments
Clomipramine is a tricyclic antidepressant.
Database Links
BindingDB Ligand 50021927
CAS Registry No. 303-49-1
ChEBI CHEBI:47780
ChEMBL Ligand CHEMBL415
DrugBank Ligand DB01242
DrugCentral Ligand 701
GtoPdb PubChem SID 135650111
PubChem CID 2801
RCSB PDB Ligand CXX
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Wikipedia Clomipramine