Ibandronate sodium (USAN)

Properties Image MNX_ID MNXM126656 reference keggD:D04486 formula C9H24NNaO8P2 global charge 0 mol weight 359.228 InChIKey VBDRTGFACFYFCT-UHFFFAOYSA-M InChI InChI=1S/C9H23NO7P2.Na.H2O/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;1H2/q;+1;/p-1 SMILES CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+] MNX internals InChI (mnx) InChI=1/C9H23NO7P2.Na.H2O/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;1H2/q;+1; SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:7][N:10]([CH3:2])[CH2:8][CH2:6][C:9]([OH:11])([P:18]([OH:12])([OH:13])=[O:14])[P:19]([OH:15])([OH:16])=[O:17].[Na+:20].[OH2:21]

Parent-child relations graph

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