stiripentol   Click here for help

GtoPdb Ligand ID: 5469

Synonyms: BCX 2600 | Diacomit ®
Approved drug
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.
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2D Structure
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Physico-chemical Properties
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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
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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+
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2007), FDA (2018))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3760 stiripentol
Synonyms Click here for help
BCX 2600 | Diacomit ®
Database Links Click here for help
CAS Registry No. 49763-96-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1983350
GtoPdb PubChem SID 178102119
PubChem CID 5311454
Search Google for chemical match using the InChIKey IBLNKMRFIPWSOY-FNORWQNLSA-N
Search Google for chemicals with the same backbone IBLNKMRFIPWSOY
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UniChem Compound Search for chemical match using the InChIKey IBLNKMRFIPWSOY-FNORWQNLSA-N
UniChem Connectivity Search for chemical match using the InChIKey IBLNKMRFIPWSOY-FNORWQNLSA-N
Wikipedia Stiripentol