desipramine   

GtoPdb Ligand ID: 2399

Synonyms: EX-4355 | JB-8181 | Norpramin® | Pertrofane® | Treyzafagit®
desipramine is an approved drug (FDA (no history prior to 1964))
Compound class: Synthetic organic
Comment: Desipramine is one of the tricyclic antidepressants.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 15.27
Molecular weight 266.18
XLogP 3.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNCCCN1c2ccccc2CCc2c1cccc2
Isomeric SMILES CNCCCN1c2ccccc2CCc2c1cccc2
InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
InChI Key HCYAFALTSJYZDH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (no history prior to 1964))
IUPAC Name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
International Nonproprietary Names
INN number INN
1500 desipramine
Synonyms
EX-4355 | JB-8181 | Norpramin® | Pertrofane® | Treyzafagit®
Database Links
BindingDB Ligand 50010869
CAS Registry No. 50-47-5
ChEBI CHEBI:47781
ChEMBL Ligand CHEMBL72
DrugBank Ligand DB01151
DrugCentral Ligand 812
GtoPdb PubChem SID 135650171
PubChem CID 2995
RCSB PDB Ligand DSM
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Wikipedia Desipramine