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Tiagabine-[d6] Hydrochloride

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General Information
Catalog: BLP-012617
CAS: 1217808-68-8
Molecular Formula: C20H20D6ClNO2S2
Molecular Weight: 418.5

Chemical Structure

Description	Tiagabine-[d6] Hydrochloride is the labelled analogue of Tiagabine. Tiagabine is an anticonvulsant medication used in the treatment of epilepsy
Synonyms	Tiagabine D6 Hydrochloride; (3R)-1-[4,4-Bis(3-(methyl-d3)-2-thienyl)-3-butenyl]-3-piperidinecarboxylic Acid Hydrochloride
IUPAC Name	(3R)-1-[4,4-bis[3-(trideuteriomethyl)thiophen-2-yl]but-3-enyl]piperidine-3-carboxylic acid;hydrochloride
Related CAS	145821-59-6 (unlabelled)
Canonical SMILES	CC1=C(SC=C1)C(=CCCN2CCCC(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/i1D3,2D3;
InChI Key	YUKARLAABCGMCN-OUCKJYDLSA-N
Melting Point	108-110°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO, Methanol, Water
Appearance	Off-white to Light Grey Solid
Storage	Store at -20°C, under inert atmosphere