desipramine   Click here for help

GtoPdb Ligand ID: 2399

Synonyms: EX-4355 | JB-8181 | Norpramin® | Pertrofane® | Treyzafagit®
Approved drug PDB Ligand
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
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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
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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
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InChI standard key Download

Molecular structure representations generated using Open Babel