Rasagiline mesylate (USAN)

Properties Image MNX_ID MNXM160797 reference keggD:D02562 formula C13H17NO3S global charge 0 mol weight 267.35 InChIKey JDBJJCWRXSVHOQ-UTONKHPSSA-N InChI InChI=1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1 SMILES C#CCN[C@@H]1CCC2=CC=CC=C21.CS(=O)(=O)O MNX internals InChI (mnx) InChI=1/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1 SMILES (mnx) [CH3:14][S:18]([OH:15])(=[O:16])=[O:17].[CH:1]#[C:2][CH2:9][NH:13][C@@H:12]1[CH2:8][CH2:7][C:10]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:11]21

Parent-child relations graph

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