Butedronate tetrasodiumProduct ingredient for Butedronic acid
- Name
- Butedronate tetrasodium
- Drug Entry
- Butedronic acid
- Accession Number
- DBSALT003125
- Structure
Structure for Butedronate tetrasodium (DBSALT003125)
- Synonyms
- Butedronic acid tetrasodium salt
- External IDs
- TC-924 DPD
- UNII
- A200DNE4C6
- CAS Number
- 97772-98-0
- Weight
- Average: 380.0
Monoisotopic: 379.90269751 - Chemical Formula
- C5H6Na4O10P2
- InChI Key
- WQVCHXLTSYVIPX-UHFFFAOYSA-J
- InChI
- InChI=1S/C5H10O10P2.4Na/c6-3(7)1-2(4(8)9)5(16(10,11)12)17(13,14)15;;;;/h2,5H,1H2,(H,6,7)(H,8,9)(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4
- IUPAC Name
- tetrasodium 2-(dihydrogen phosphonatomethyl)butanedioate
- SMILES
- [Na+].[Na+].[Na+].[Na+].OP([O-])(=O)C(C(CC([O-])=O)C([O-])=O)P(O)([O-])=O
- External Links
- ChemSpider
- 164917
- ChEMBL
- CHEMBL2104252
- Predicted Properties
Property Value Source Water Solubility 30.2 mg/mL ALOGPS logP -0.4 ALOGPS logP -2.8 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 1.2 Chemaxon Physiological Charge -5 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 200.98 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 68.89 m3·mol-1 Chemaxon Polarizability 18.99 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