Sodium risedronate hydrate (JP18)

Properties Image MNX_ID MNXM161205 reference keggD:D03234 formula C14H30N2Na2O19P4 global charge 0 mol weight 700.265 InChIKey HYFDYHPNTXOPPO-UHFFFAOYSA-L InChI InChI=1S/2C7H11NO7P2.2Na.5H2O/c2*9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;;;;;;;/h2*1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);;;5*1H2/q;;2*+1;;;;;/p-2 SMILES O.O.O.O.O.O=P([O-])(O)C(O)(CC1=CN=CC=C1)P(=O)(O)O.O=P([O-])(O)C(O)(CC1=CN=CC=C1)P(=O)(O)O.[Na+].[Na+] MNX internals InChI (mnx) InChI=1/2C7H11NO7P2.2Na.5H2O/c2*9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;;;;;;;/h2*1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);;;5*1H2/q;;2*+1;;;;; SMILES (mnx) [CH:18]1=[CH:19][C:23]([CH2:21][C:24]([OH:26])([P:33]([OH:27])([OH:28])=[O:29])[P:34]([OH:30])([OH:31])=[O:32])=[CH:22][N:25]=[CH:20]1.[CH:1]1=[CH:2][C:6]([CH2:4][C:7]([OH:9])([P:16]([OH:10])([OH:11])=[O:12])[P:17]([OH:13])([OH:14])=[O:15])=[CH:5][N:8]=[CH:3]1.[Na+:35].[Na+:36].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[OH2:41]

Parent-child relations graph

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