Calcium dobesilate (INN)

Properties Image MNX_ID MNXM153077 reference keggD:D07427 formula C12H10CaO10S2 global charge 0 mol weight 418.414 InChIKey QGNBTYAQAPLTMX-UHFFFAOYSA-L InChI InChI=1S/2C6H6O5S.Ca/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;/h2*1-3,7-8H,(H,9,10,11);/q;;+2/p-2 SMILES O=S(=O)([O-])C1=C(O)C=CC(O)=C1.O=S(=O)([O-])C1=CC(O)=CC=C1O.[Ca+2] MNX internals InChI (mnx) InChI=1/2C6H6O5S.Ca/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;/h2*1-3,7-8H,(H,9,10,11);/q;;+2 SMILES (mnx) [CH:13]1=[CH:14][C:17]([OH:20])=[C:18]([S:24]([OH:21])(=[O:22])=[O:23])[CH:15]=[C:16]1[OH:19].[CH:1]1=[CH:2][C:5]([OH:8])=[C:6]([S:12]([OH:9])(=[O:10])=[O:11])[CH:3]=[C:4]1[OH:7].[Ca+2:25]

Parent-child relations graph

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