EMBL-EBI | Chemical Biology | ChEBI
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| Formula | H2O.C5H7N2O7P2.Na.Na.Na.C5H7N2O7P2.Na.Na.Na.C5H7N2O7P2.Na.Na.Na.C5H7N2O7P2.Na.Na.Na.C5H7N2O7P2.Na.Na.Na.H2O |
| Net Charge | 0 |
| Average Mass | 1726.210 |
| Monoisotopic Mass | 1725.73191 |
| SMILES | O.O.O=P([O-])([O-])C(O)(Cn1ccnc1)P(=O)([O-])O.O=P([O-])([O-])C(O)(Cn1ccnc1)P(=O)([O-])O.O=P([O-])([O-])C(O)(Cn1ccnc1)P(=O)([O-])O.O=P([O-])([O-])C(O)(Cn1ccnc1)P(=O)([O-])O.O=P([O-])([O-])C(O)(Cn1ccnc1)P(=O)([O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChI | InChI=1S/5C5H10N2O7P2.15Na.2H2O/c5*8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;;;;;;;;;;;;;;;;;/h5*1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);;;;;;;;;;;;;;;;2*1H2/q;;;;;15*+1;;/p-15 |
| InChIKey | HYMYRPXSMHJPGD-UHFFFAOYSA-A |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| zoledronate trisodium (CHEBI:756226) is a 1,1-bis(phosphonic acid) (CHEBI:77383) |
| Synonyms | Source |
|---|---|
| CGP 42446B | ChEMBL |
| CGP-42446B | ChEMBL |
| Zoledronate trisodium | ChEMBL |
| Zoledronic acid trisodium salt hydrate | ChEMBL |