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Tiagabine-[d4]

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General Information
Catalog: BLP-007437
Molecular Formula: C20H21D4NO2S2
Molecular Weight: 379.57

Chemical Structure

Description	Tiagabine-[d4] is a labelled analogue of Tiagabine. Tiagabine is a selective gamma-aminobutyric acid (GABA) reuptake inhibitor.
Synonyms	(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl](2,4,5,6-D4)piperidine-3-carboxylic acid
IUPAC Name	(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]-2,4,5,6-tetradeuteriopiperidine-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/i3D,5D,9D,13D/t3?,5?,9?,13?,16-
InChI Key	PBJUNZJWGZTSKL-FGMRGIILSA-N
Purity	>98%