Ibandronate sodiumProduct ingredient for Ibandronate
- Name
- Ibandronate sodium
- Drug Entry
- Ibandronate
Ibandronate, or BM 21.0955, is a third generation, nitrogen containing bisphosphonate similar to zoledronic acid, minodronic acid, and risedronic acid.1,2 It is used to prevent and treat postmenopausal osteoporosis.11,12 Ibandronate was first described in the literature in 1993 as a treatment for bone loss in dogs.2
Ibandronate was granted FDA approval on 16 May 2003.11
- Accession Number
- DBSALT000246
- Structure
- Synonyms
- Ibandronate monosodium monohydrate / Ibandronate sodium / Ibandronate sodium hydrate / Ibandronate sodium monohydrate / Ibandronic acid (as sodium ibandronate) / Ibandronic acid sodium salt / Ibandronic acid sodium salt monohydrate / Ibandronic sodium monohydrate / Sodium ibandronate
- UNII
- J12U072QL0
- CAS Number
- 138926-19-9
- Weight
- Average: 359.227
Monoisotopic: 359.08748501 - Chemical Formula
- C9H24NNaO8P2
- InChI Key
- VBDRTGFACFYFCT-UHFFFAOYSA-M
- InChI
- InChI=1S/C9H23NO7P2.Na.H2O/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;1H2/q;+1;/p-1
- IUPAC Name
- sodium hydrate hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate
- SMILES
- O.[Na+].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)([O-])=O
- External Links
- PubChem Compound
- 23670359
- ChemSpider
- 4953639
- ChEMBL
- CHEMBL3989569
- Wikipedia
- Ibandronic_acid
- Predicted Properties
Property Value Source Water Solubility 22.5 mg/mL ALOGPS logP 0.42 ALOGPS logP -2.5 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 0.66 Chemaxon pKa (Strongest Basic) 9.94 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 141.36 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 70.04 m3·mol-1 Chemaxon Polarizability 28.78 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