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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
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
Search Google for chemical match using the InChIKey CBQGYUDMJHNJBX-OALUTQOASA-N
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UniChem Compound Search for chemical match using the InChIKey CBQGYUDMJHNJBX-OALUTQOASA-N
UniChem Connectivity Search for chemical match using the InChIKey CBQGYUDMJHNJBX-OALUTQOASA-N
Wikipedia Reboxetine