TL;DR: Aredia (CAS 109552-15-0) is a chemical compound with molecular formula C3H19NNa2O12P2 and molecular weight 369.0178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;[3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate;pentahydrate
Also Known As: Aredia, Pamidronate disodium pentahydrate, Disodium pamidronate, Pamidronate, Disodium Salt, Aminomux
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H19NNa2O12P2 |
| Molecular Weight | 369.0178 g/mol |
| XLogP | -13.04 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.0178 Da |
| Heavy Atoms | 20 |
| Complexity | 238.0 |
| SMILES | C(CN)C(O)(P(=O)(O)[O-])P(=O)(O)[O-].O.O.O.O.O.[Na+].[Na+] |
| InChIKey | CZYWHNTUXNGDGR-UHFFFAOYSA-L |
The XLogP value of -13.04 indicates that Aredia is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting Aredia may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aredia has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Aredia is 109552-15-0.
The molecular formula of Aredia is C3H19NNa2O12P2.
The molecular weight of Aredia is 369.0178 g/mol.
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