Tiagabine hydrochlorideProduct ingredient for Tiagabine
- Name
- Tiagabine hydrochloride
- Drug Entry
- Tiagabine
Tiagabine is an anti-convulsive medication. It is also used in the treatment for panic disorder as are a few other anticonvulsants. Though the exact mechanism by which tiagabine exerts its effect on the human body is unknown, it does appear to operate as a selective GABA reuptake inhibitor.
- Accession Number
- DBSALT001255
- Structure
Structure for Tiagabine hydrochloride (DBSALT001255)
- Synonyms
- Tiagabine HCl
- UNII
- DQH6T6D8OY
- CAS Number
- 145821-59-6
- Weight
- Average: 412.0
Monoisotopic: 411.1093491 - Chemical Formula
- C20H26ClNO2S2
- InChI Key
- YUKARLAABCGMCN-PKLMIRHRSA-N
- InChI
- InChI=1S/C20H25NO2S2.ClH/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23;/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23);1H/t16-;/m1./s1
- IUPAC Name
- (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride
- SMILES
- Cl.[H][C@]1(CCCN(CCC=C(C2=C(C)C=CS2)C2=C(C)C=CS2)C1)C(O)=O
- External Links
- ChemSpider
- 82422
- ChEBI
- 85388
- ChEMBL
- CHEMBL1695
- Wikipedia
- Tiagabine
- Predicted Properties
Property Value Source Water Solubility 0.0211 mg/mL ALOGPS logP 4.98 ALOGPS logP 2.6 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 4.14 Chemaxon pKa (Strongest Basic) 9.26 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 40.54 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 115.32 m3·mol-1 Chemaxon Polarizability 41.77 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon