Tiagabine

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Systematic / IUPAC Name: 1-[4,4-Bis(3-methyl-2-thienyl)-3-buten-1-yl]-3-piperidinecarboxylic acid

ID: Reference6957

Other Names: 1-[4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid;
3-Piperidinecarboxylicacid, 1-[4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl]-

Formula: C20H25NO2S2

Spectral Data

Tiagabine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 369
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/26/2017 8:11:53 AM
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Identificators

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)
InChI Key PBJUNZJWGZTSKL-UHFFFAOYSA-N
Canonical SMILES CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C
CAS
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Other Names 1-[4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid;
3-Piperidinecarboxylicacid, 1-[4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl]-

In Other Databases

Wikipedia Tiagabine
PubChem 5466
ChEMBL CHEMBL1190260
ChemSpider 5267