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Tiagabine hydrochloride

CAT: 1568-C10320-20mgSize: 20 mgDry Ice: YesHazardous: No
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CAT#:1568-C10320-20mgSize:20 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145821-59-6
Synonyms
Gabitril hydrochloride, NO050328 hydrochloride, NO328 hydrochloride, TGB hydrochloride
Target
GABA Receptor
Applications
Neuronal Signaling
Smiles
CC1=C (SC=C1) C (=CCCN2CCCC (C2) C (=O) O) C3=C (C=CS3) C.Cl
Molecular Formula
C20H25NO2S2.HCl
Additionnal Information
Tiagabine Hydrochloride (Gabitril, NO050328, NO328, TGB) is the hydrochloride salt form of tiagabine, a nipecotic acid derivative with anticonvulsant property. A selective gamma-aminobutyric acid (GABA) reuptake inhibitor.
Storage Conditions
2 years -80 in solvent

Chemical Information

Tiagabine Hydrochloride

Tiagabine hydrochloride is a hydrochloride resulting from the reaction of equimolar amounts of tiagabine and hydrogen chloride. A GABA reuptake inhibitor, it is used for the treatment of epilepsy. It has a role as an anticonvulsant and a GABA reuptake inhibitor. It contains a tiagabine(1+).

CAS Number145821-59-6
PubChem CID91274
IUPAC Name(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid;hydrochloride
Molecular FormulaC20H26ClNO2S2
Molecular Weight412.0
Topological Polar Surface Area97
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity474
SMILES
CC1=C(SC=C1)C(=CCCN2CCC[C@H](C2)C(=O)O)C3=C(C=CS3)C.Cl
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
InChIKey
YUKARLAABCGMCN-PKLMIRHRSA-N
Chemical Structure
2D Structure
2D structure of Tiagabine Hydrochloride
CAS: 145821-59-6
CID: 91274
Formula: C20H26ClNO2S2
MW: 412.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass411.1093491
Monoisotopic Mass411.1093491
Topological Polar Surface Area97 Ų
Heavy Atom Count26
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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