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Chemical structure of Tiagabine hydrochloride hydrate

GC37788

Tiagabine hydrochloride hydrate

Also known as (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid;hydrate;hydrochloride

Tiagabine hydrochloride hydrate is a potent and selective GABA uptake inhibitor, used as an anticonvulsant agent, with IC50s of 67, 446 and 182 nM for [3H]GABA uptake in Synaptosomes, Neurons and Glia, respectively

ChemicalCAS145821-57-4MW430.02FormulaC20H28ClNO3S2
CAS number
145821-57-4
Molecular weight
430.02
Formula
C20H28ClNO3S2
Solubility
Soluble in DMSO
InChIKey
KOZCGZMZXXVHCF-GGMCWBHBSA-N
Catalogue number
GC37788
Brand
GLPBIO
Computed properties PubChem CID 67065562 · TPSA 98 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
98 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27

SMILES CC1=C(SC=C1)C(=CCCN2CCC[C@H](C2)C(=O)O)C3=C(C=CS3)C.O.Cl

Computed descriptors from PubChem (CID 67065562), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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