norzotepine   Click here for help

GtoPdb Ligand ID: 7537

Compound class: Synthetic organic
Comment: Norzotepine is a major active metabolite of the drug zotepine [1]. Norzotepine acts as a norepinephrine reuptake inhibitor and exhibits anti-depressant and anti-psychotic activity in animal studies [1].
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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 46.56
Molecular weight 317.06
XLogP 4.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNCCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2
Isomeric SMILES CNCCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2
InChI InChI=1S/C17H16ClNOS/c1-19-8-9-20-15-10-12-4-2-3-5-16(12)21-17-7-6-13(18)11-14(15)17/h2-7,10-11,19H,8-9H2,1H3
InChI Key OVVBIIBBRZVPAL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(8-chlorobenzo[b][1]benzothiepin-6-yl)oxy-N-methylethanamine
Database Links Click here for help
CAS Registry No. 78846-91-0 (source: Scifinder)
GtoPdb PubChem SID 187051838
PubChem CID 10041551
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