Neridronate sodiumProduct ingredient for Neridronic Acid
- Name
- Neridronate sodium
- Drug Entry
- Neridronic Acid
- Accession Number
- DBSALT001937
- Structure
Structure for Neridronate sodium (DBSALT001937)
- Synonyms
- (6-amino-1-hydroxyhexylidene)bisphosphonic acid, sodium salt / Neridronate monosodium / Neridronic acid monosodium salt / Nerixia
- UNII
- H6JVB49Q0F
- CAS Number
- 80729-79-9
- Weight
- Average: 299.131
Monoisotopic: 299.02997014 - Chemical Formula
- C6H16NNaO7P2
- InChI Key
- MHYULJPRWPTMTD-UHFFFAOYSA-M
- InChI
- InChI=1S/C6H17NO7P2.Na/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14;/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14);/q;+1/p-1
- IUPAC Name
- sodium hydrogen (6-amino-1-hydroxy-1-phosphonohexyl)phosphonate
- SMILES
- [Na+].NCCCCCC(O)(P(O)(O)=O)P(O)([O-])=O
- External Links
- ChemSpider
- 9533390
- Predicted Properties
Property Value Source Water Solubility 20.9 mg/mL ALOGPS logP -0.89 ALOGPS logP -3.4 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 0.69 Chemaxon pKa (Strongest Basic) 10.21 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 7 Chemaxon Refractivity 55.45 m3·mol-1 Chemaxon Polarizability 22.93 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