meglumine amidotrizoate

Properties Image MNX_ID MNXM157778 reference chebi:31812 formula C18H26I3N3O9 global charge 0 mol weight 809.13 InChIKey MIKKOBKEXMRYFQ-WZTVWXICSA-N InChI InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1 SMILES CC(=O)NC1=C(I)C(NC(C)=O)=C(I)C(C(=O)[O-])=C1I.C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MNX internals InChI (mnx) InChI=1/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1 SMILES (mnx) [CH3:1][C:3](=[N:15][C:9]1=[C:8]([I:14])[C:10]([N:16]=[C:4]([CH3:2])[OH:18])=[C:7]([I:13])[C:5]([C:11](=[O:19])[OH:20])=[C:6]1[I:12])[OH:17].[CH3:21][NH:28][CH2:22][C@@H:24]([C@H:26]([C@@H:27]([C@@H:25]([CH2:23][OH:29])[OH:31])[OH:33])[OH:32])[OH:30]

Parent-child relations graph

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