Lisdexamfetamine dimesylate (USAN)

Properties Image MNX_ID MNXM157439 reference keggD:D04747 formula C17H33N3O7S2 global charge 0 mol weight 455.599 InChIKey CETWSOHVEGTIBR-FORAGAHYSA-N InChI InChI=1S/C15H25N3O.2CH4O3S/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16;2*1-5(2,3)4/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19);2*1H3,(H,2,3,4)/t12-,14-;;/m0../s1 SMILES CS(=O)(=O)O.CS(=O)(=O)O.C[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN MNX internals InChI (mnx) InChI=1/C15H25N3O.2CH4O3S/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16;2*1-5(2,3)4/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19);2*1H3,(H,2,3,4)/t12-,14-;;/m0../s1 SMILES (mnx) [CH3:1][C@@H:12]([CH2:11][C:13]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[N:18]=[C:15]([C@H:14]([CH2:9][CH2:5][CH2:6][CH2:10][NH2:16])[NH2:17])[OH:19].[CH3:20][S:24]([OH:21])(=[O:22])=[O:23].[CH3:25][S:29]([OH:26])(=[O:27])=[O:28]

Parent-child relations graph

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