Zoledronic acid hemipentahydrateProduct ingredient for Zoledronic acid

Name
Zoledronic acid hemipentahydrate
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
DBSALT001962
Structure
Thumb
Synonyms
Not Available
UNII
1K9U67HDID
CAS Number
Not Available
Weight
Average: 634.254
Monoisotopic: 634.045472754
Chemical Formula
C10H30N4O19P4
InChI Key
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
IUPAC Name
bis([1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid) pentahydrate
SMILES
O.O.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
KEGG Drug
D10515
ChemSpider
30790720
Predicted Properties
PropertyValueSource
Water Solubility3.27 mg/mLALOGPS
logP-0.93ALOGPS
logP-3.9ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)0.66ChemAxon
pKa (Strongest Basic)6.67ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area153.11 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity52.16 m3·mol-1ChemAxon
Polarizability20.1 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon