Alendronate sodium anhydrousProduct ingredient for Alendronic acid
- Name
- Alendronate sodium anhydrous
- 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
- DBSALT001779
- Structure
Structure for Alendronate sodium anhydrous (DBSALT001779)
- Synonyms
- 4-amino-1-hydroxybutylidene-1,1-bisphosphonic acid monosodium salt / Alendronic acid monosodium salt / Monosodium alendronate
- UNII
- 4988K7X26P
- CAS Number
- 129318-43-0
- Weight
- Average: 271.077
Monoisotopic: 270.99867001 - Chemical Formula
- C4H12NNaO7P2
- InChI Key
- CAKRAHQRJGUPIG-UHFFFAOYSA-M
- InChI
- InChI=1S/C4H13NO7P2.Na/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);/q;+1/p-1
- IUPAC Name
- sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate
- SMILES
- [Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O
- External Links
- 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