Zoledronate trisodiumProduct ingredient for Zoledronic acid
- Name
- Zoledronate trisodium
- Drug Entry
- Zoledronic acid
Zoledronic acid, or CGP 42'446,8 is a third generation, nitrogen containing bisphosphonate similar to ibandronic acid, minodronic acid, and risedronic acid.5 Zoledronic acid is used to treat and prevent multiple forms of osteoporosis, hypercalcemia of malignancy, multiple myeloma, bone metastases from solid tumors, and Paget’s disease of bone.14,15,16 Zoledronic acid was first described in the literature in 1994.8
Zoledronic acid was granted FDA approval on 20 August 2001.14
- Accession Number
- DBSALT001758
- Structure
- Synonyms
- Zoledronic acid trisodium salt hydrate
- External IDs
- CGP 42446B / CGP-42446B
- UNII
- ARL915IH66
- CAS Number
- 165800-08-8
- Weight
- Average: 1726.204
Monoisotopic: 1725.73191642 - Chemical Formula
- C25H39N10Na15O37P10
- InChI Key
- HYMYRPXSMHJPGD-UHFFFAOYSA-A
- 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
- IUPAC Name
- pentadecasodium dihydrate pentakis(hydrogen [1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonate)
- SMILES
- O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OC(CN1C=CN=C1)(P(O)([O-])=O)P([O-])([O-])=O.OC(CN1C=CN=C1)(P(O)([O-])=O)P([O-])([O-])=O.OC(CN1C=CN=C1)(P(O)([O-])=O)P([O-])([O-])=O.OC(CN1C=CN=C1)(P(O)([O-])=O)P([O-])([O-])=O.OC(CN1C=CN=C1)(P(O)([O-])=O)P([O-])([O-])=O
- External Links
- ChemSpider
- 30791803
- ChEMBL
- CHEMBL3989655
- Predicted Properties
Property Value Source Water Solubility 7.25 mg/mL ALOGPS logP -0.35 ALOGPS logP -3.9 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 0.66 Chemaxon pKa (Strongest Basic) 6.68 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 161.6 Å2 Chemaxon Rotatable Bond Count 20 Chemaxon Refractivity 48.79 m3·mol-1 Chemaxon Polarizability 18.91 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon