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Tiagabine-[d6]

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General Information
Catalog: BLP-008150
CAS: 1217672-34-8
Molecular Formula: C20H19D6NO2S2
Molecular Weight: 381.58

Chemical Structure

Description	One of the isotopic labelled form of Tiagabine, which inhibits the reuptake of GABA in synaptic terminals, implicating that it enhances GABA-ergic functions in an indirect way.
Synonyms	(3R)-1-{4,4-bis[3-(D3)methylthiophen-2-yl]but-3-en-1-yl}piperidine-3-carboxylic acid
IUPAC Name	(3R)-1-[4,4-bis[3-(trideuteriomethyl)thiophen-2-yl]but-3-enyl]piperidine-3-carboxylic acid
Related CAS	115103-54-3 (unlabelled)
Canonical SMILES	CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C
InChI	InChI=1S/C20H25NO2S2/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)/t16-/m1/s1/i1D3,2D3
InChI Key	PBJUNZJWGZTSKL-PCSXZHBASA-N
Purity	>98%