Mrv0541 04021513232D 25 27 0 0 0 0 999 V2000 5.2147 -6.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2148 -7.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4991 -6.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9275 -6.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8805 -8.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5515 -8.2174 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 -5.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 -6.8333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9257 -5.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6293 -8.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6653 -7.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -8.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 -5.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0278 -5.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1976 -6.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6384 -5.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6384 -4.4420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3540 -4.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9229 -4.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3540 -3.2027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9229 -3.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6385 -2.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0695 -2.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0695 -1.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7851 -3.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 1 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 10 12 2 0 0 0 0 13 15 2 0 0 0 0 21 22 1 0 0 0 0 M END > CHEBI:9586 > tiagabine > A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy. > 3 > (R)-tiagabine; (R)-(-)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid; (-)-(R)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid; (-)-(R)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid > (3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid > tiagabinum; tiagabine; tiagabine; tiagabina > C20H25NO2S2 > 375.54800 > 375.13267 > 0 > Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C > 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)/t16-/m1/s1 > PBJUNZJWGZTSKL-MRXNPFEDSA-N > 115103-54-3 > 6375354 > 115103-54-3 > DB00906 > C07503 > D08588 > LSM-5700 > Tiagabine > 10530690; 22592677; 23770680; 23997364; 24440890; 24500879; 25663257; 9097364; 9449883 $$$$