lurasidone(1+)

Properties Image MNX_ID MNXM157550 reference chebi:70734 formula C28H37N4O2S global charge 1 mol weight 493.697 InChIKey PQXKDMSYBGKCJA-CVTJIBDQSA-O InChI InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/p+1/t18-,19+,20-,21-,24+,25-/m0/s1 SMILES O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1C[NH+]1CCN(C2=NSC3=C2C=CC=C3)CC1 MNX internals InChI (mnx) InChI=1/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:6][C@@H:21]([CH2:17][N:32]2[C:27](=[O:33])[C@@H:24]3[C@H:18]4[CH2:9][CH2:10][C@H:19]([CH2:15]4)[C@@H:25]3[C:28]2=[O:34])[C@H:20]([CH2:16][N:30]2[CH2:11][CH2:13][N:31]([C:26]3=[N:29][S:35][C:23]4=[CH:8][CH:4]=[CH:3][CH:7]=[C:22]43)[CH2:14][CH2:12]2)[CH2:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0