115103-54-3 109857-64-9 1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid
CAS No: | 115103-54-3 |
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Synonyms: | (R)-Tiagabine, Gabatril, HSDB 7527, NO 050328, NO 328, Tiagabina, Tiagabina [INN-Spanish], Tiagabine, Tiagabinum, Tiagabinum [INN-Latin], UNII-Z80I64HMNP |
ATC code: | N03AG06 |
Molecular Weight: | 375.5545 g/mol |
Chemical Formula: | C20-H25-N-O2-S2 |
Assay/Purity: | Typically NLT 98% |
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IUPAC Name: | (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid |
SMILES: | C1[N,,](CCC[C,H]1C(O)=O)CCC=C(/c1sccc1C)c1c(ccs1)C |
InChl: | 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 |
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