stiripentol   

GtoPdb Ligand ID: 5469

Synonyms: BCX 2600 | Diacomit ®
stiripentol is an approved drug (EMA (2007), FDA (2018))
Compound class: Synthetic organic
Comment: Stiripentol is an orally active anti-epilepsy drug. Chemically is a mixture of enantiomers. The structure shown here does not specify stereochemistry at the chiral centres and is used to represent the mixture. Click here to view the PubChem records for associated stereoisomers.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 38.69
Molecular weight 234.13
XLogP 2.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(C(C)(C)C)C=Cc1ccc2c(c1)OCO2
Isomeric SMILES OC(C(C)(C)C)/C=C/c1ccc2c(c1)OCO2
InChI InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+
InChI Key IBLNKMRFIPWSOY-FNORWQNLSA-N
Ligand mentioned in the following text fields