Tiagabine Hydrochloride
Product Code
TRC-T436400
CAS Number
Product Format
Neat
Molecular Formula
C20 H25 N O2 S2 . Cl H
Molecular Weight
412.01
Product Categories
Alternate CAS Number
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Tiagabine Hydrochloride
CAS Number
145821-59-6
Molecular Formula
C20 H25 N O2 S2 . Cl H
Molecular Weight
412.01
Accurate Mass
411.1093
SMILES
Cl.Cc1ccsc1C(=CCCN2CCC[C@H](C2)C(=O)O)c3sccc3C
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
IUPAC
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid;hydrochloride
Alternate CAS Number
Free base: 115103-54-3
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)