reboxetine   Click here for help

GtoPdb Ligand ID: 4808

Synonyms: Edronax® | PNU-165442G
Approved drug
reboxetine is an approved drug
Compound class: Synthetic organic
Comment: Reboxetine is a norepinephrine reuptake inhibitor (NRI) antidepressant. It is ~20-fold selective for the norepinephrine transporter over the serotonin transporter, so at therapeutic doses some inhibition of serotonin uptake is observed.
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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 6
Topological polar surface area 39.72
Molecular weight 313.17
XLogP 3.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOc1ccccc1OC(c1ccccc1)C1OCCNC1
Isomeric SMILES CCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1OCCNC1
InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1
InChI Key CBQGYUDMJHNJBX-OALUTQOASA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
(2S)-2-[(S)-2-ethoxyphenoxy(phenyl)methyl]morpholine
International Nonproprietary Names Click here for help
INN number INN
5858 reboxetine
Synonyms Click here for help
Edronax® | PNU-165442G
Database Links Click here for help
CAS Registry No. 71620-89-8 (source: Scifinder)
ChEBI CHEBI:114263
ChEMBL Ligand CHEMBL180101
DrugBank Ligand DB00234
GtoPdb PubChem SID 178101510
PubChem CID 65856
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Wikipedia Reboxetine