ethotoin   Click here for help

GtoPdb Ligand ID: 7183

Synonyms: Peganone®
Approved drug
ethotoin is an approved drug (FDA (1957))
Compound class: Synthetic organic
Comment: Ethotoin is an anticonvulsant drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 52.9
Molecular weight 204.09
XLogP 1.41
No. Lipinski's rules broken 0
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Canonical SMILES CCN1C(=O)C(N=C1O)c1ccccc1
Isomeric SMILES CCN1C(=O)C(N=C1O)c1ccccc1
InChI InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)
Bioactivity Comments
Due to the complex and varied nature of the precise subunit composition of sodium channels receptors, and a paucity of affinity data with definitive molecular details, we have not tagged a primary target for this drug.