Deferitazole Magnesium (USAN)

Properties Image MNX_ID MNXM155122 reference keggD:D10389 formula C18H25MgNO8S global charge 0 mol weight 439.769 InChIKey MVAWDZLMOYASSX-JPKZNVRTSA-L InChI InChI=1S/C18H25NO7S.Mg.H2O/c1-18(17(21)22)12-27-16(19-18)13-4-3-5-14(15(13)20)26-11-10-25-9-8-24-7-6-23-2;;/h3-5,20H,6-12H2,1-2H3,(H,21,22);;1H2/q;+2;/p-2/t18-;;/m1../s1 SMILES COCCOCCOCCOC1=C(O)C(C2=N[C@@](C)(C(=O)[O-])CS2)=CC=C1.O[Mg+] MNX internals InChI (mnx) InChI=1/C18H25NO7S.Mg.H2O/c1-18(17(21)22)12-27-16(19-18)13-4-3-5-14(15(13)20)26-11-10-25-9-8-24-7-6-23-2;;/h3-5,20H,6-12H2,1-2H3,(H,21,22);;1H2/q;+2;/t18-;;/m1../s1 SMILES (mnx) [CH3:1][C@:18]1([C:17](=[O:21])[OH:22])[CH2:12][S:27][C:16]([C:13]2=[C:15]([OH:20])[C:14]([O:26][CH2:11][CH2:10][O:25][CH2:9][CH2:8][O:24][CH2:7][CH2:6][O:23][CH3:2])=[CH:5][CH:3]=[CH:4]2)=[N:19]1.[Mg+2:28].[OH2:29]

Parent-child relations graph

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