Alendronate calciumProduct ingredient for Alendronic acid
- Name
- Alendronate calcium
- Drug Entry
- Alendronic acid
Alendronic acid is a second generation bisphosphonate that is used for the treatment of some forms of osteoperosis and Paget's diseaseLabel1,5. It functions by preventing resorption of boneLabel1.
- Accession Number
- DBSALT001780
- Structure
Structure for Alendronate calcium (DBSALT001780)
- Synonyms
- Calcium alendronate / Calcium alendronate anhydrous / Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, calcium salt (2:1)
- UNII
- 3JTA994BVH
- CAS Number
- 137504-90-6
- Weight
- Average: 536.253
Monoisotopic: 535.9803924 - Chemical Formula
- C8H24CaN2O14P4
- InChI Key
- VFAZUESUCBECNE-UHFFFAOYSA-L
- InChI
- InChI=1S/2C4H13NO7P2.Ca/c2*5-3-1-2-4(6,13(7,8)9)14(10,11)12;/h2*6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);/q;;+2/p-2
- IUPAC Name
- calcium bis(hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate)
- SMILES
- [Ca++].[H]N([H])CCCC(O)(P(O)(O)=O)P(O)([O-])=O.[H]N([H])CCCC(O)(P(O)(O)=O)P(O)([O-])=O
- External Links
- ChemSpider
- 155292
- Predicted Properties
Property Value Source Water Solubility 11.1 mg/mL ALOGPS logP -0.47 ALOGPS logP -4.2 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 0.69 Chemaxon pKa (Strongest Basic) 9.91 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 164.14 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 46.25 m3·mol-1 Chemaxon Polarizability 19.03 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon