API0232449
Tiagabine Hydrochloride
Tiagabine Hydrochloride is an antiepileptic drug.
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CAS No.
145821-59-6
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Synonyms
Tiagabine hydrochloride; 145821-59-6; TIAGABINE HCl
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CHEMBL ID
CHEMBL1695
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Molecule Type
Small molecule
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Compound CID
91274
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Molecular Weight (g/mol)
412
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Molecular Formula
C20H26ClNO2S2
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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
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InChIKey
YUKARLAABCGMCN-PKLMIRHRSA-N
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SMILES
CC1=C(SC=C1)C(=CCCN2CCC[C@H](C2)C(=O)O)C3=C(C=CS3)C.Cl
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IUPAC Name
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid;hydrochloride
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Exact Mass (Da)
411.1093491
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Monoisotopic Mass (Da)
411.1093491
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