Alendronate sodiumProduct ingredient for Alendronic acid
- Name
- Alendronate sodium
- 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
- DBSALT000315
- Structure
Structure for Alendronate sodium (DBSALT000315)
- Synonyms
- Alendronate sodium hydrate / Alendronate sodium trihydrate / Alendronic acid monosodium salt trihydrate / Sodium alendronate trihydrate
- UNII
- 2UY4M2U3RA
- CAS Number
- 121268-17-5
- Weight
- Average: 325.1237
Monoisotopic: 325.0303635 - Chemical Formula
- C4H18NNaO10P2
- InChI Key
- DCSBSVSZJRSITC-UHFFFAOYSA-M
- InChI
- InChI=1S/C4H13NO7P2.Na.3H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;;;;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);;3*1H2/q;+1;;;/p-1
- IUPAC Name
- sodium trihydrate hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate
- SMILES
- O.O.O.[Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O
- External Links
- PubChem Compound
- 60736
- ChemSpider
- 54739
- ChEBI
- 2566
- ChEMBL
- CHEMBL2367465
- Wikipedia
- Alendronic_acid
- Predicted Properties
Property Value Source Water Solubility 23.7 mg/mL ALOGPS logP -1.2 ALOGPS logP -4.2 Chemaxon logS -1.1 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 5 Chemaxon Refractivity 46.25 m3·mol-1 Chemaxon Polarizability 18.74 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon