Zoledronic acid hemipentahydrate (JAN)

Properties Image MNX_ID MNXM162222 reference keggD:D10515 formula C10H30N4O19P4 global charge 0 mol weight 634.255 InChIKey AZZILOGHCMYHQY-UHFFFAOYSA-N InChI InChI=1S/2C5H10N2O7P2.5H2O/c2*8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;;;;;/h2*1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);5*1H2 SMILES O.O.O.O.O.O=P(O)(O)C(O)(CN1C=CN=C1)P(=O)(O)O.O=P(O)(O)C(O)(CN1C=CN=C1)P(=O)(O)O MNX internals InChI (mnx) InChI=1/2C5H10N2O7P2.5H2O/c2*8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;;;;;/h2*1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);5*1H2 SMILES (mnx) [CH:17]1=[CH:18][N:23]([CH2:19][C:21]([OH:24])([P:31]([OH:25])([OH:26])=[O:27])[P:32]([OH:28])([OH:29])=[O:30])[CH:20]=[N:22]1.[CH:1]1=[CH:2][N:7]([CH2:3][C:5]([OH:8])([P:15]([OH:9])([OH:10])=[O:11])[P:16]([OH:12])([OH:13])=[O:14])[CH:4]=[N:6]1.[OH2:33].[OH2:34].[OH2:35].[OH2:36].[OH2:37]

Parent-child relations graph

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