Zoledronate disodiumProduct ingredient for Zoledronic acid

Name
Zoledronate disodium
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.12,13,14 Zoledronic acid was first described in the literature in 1994.8

Zoledronic acid was granted FDA approval on 20 August 2001.12

Accession Number
DBSALT001757
Structure
Thumb
Synonyms
Not Available
UNII
7D7GS1SA24
CAS Number
165800-07-7
Weight
Average: 388.113
Monoisotopic: 388.0024719
Chemical Formula
C5H16N2Na2O11P2
InChI Key
IEJZOPBVBXAOBH-UHFFFAOYSA-L
InChI
InChI=1S/C5H10N2O7P2.2Na.4H2O/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;;;;;;/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);;;4*1H2/q;2*+1;;;;/p-2
IUPAC Name
disodium tetrahydrate hydrogen [1-hydrogen phosphono-1-hydroxy-2-(1H-imidazol-1-yl)ethyl]phosphonate
SMILES
O.O.O.O.[Na+].[Na+].OC(CN1C=CN=C1)(P(O)([O-])=O)P(O)([O-])=O
ChemSpider
19986753
ChEMBL
CHEMBL2103912
Predicted Properties
PropertyValueSource
Water Solubility5.43 mg/mLALOGPS
logP-0.52ALOGPS
logP-3.9ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)0.66ChemAxon
pKa (Strongest Basic)6.68ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area158.77 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity49.91 m3·mol-1ChemAxon
Polarizability19.4 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon