TL;DR: Efonidipine Hydrochloride (CAS 111011-53-1) is a chemical compound with molecular formula C34H39ClN3O7P and molecular weight 667.22144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride
Also Known As: efonidipine hydrochloride, Efonidipine HCl, Efonidipine, Efonidipine (hydrochloride), NZ-105 hydrochloride
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C34H39ClN3O7P |
| Molecular Weight | 667.22144 g/mol |
| XLogP | 7.73 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 667.22144 Da |
| Heavy Atoms | 46 |
| Complexity | 1170.0 |
| SMILES | CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl |
| InChIKey | OXVTXPCIJDYQIS-UHFFFAOYSA-N |
The XLogP value of 7.73 indicates that Efonidipine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Efonidipine Hydrochloride. Following Lipinski's Rule of Five, Efonidipine Hydrochloride has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Efonidipine Hydrochloride is 111011-53-1.
The molecular formula of Efonidipine Hydrochloride is C34H39ClN3O7P.
The molecular weight of Efonidipine Hydrochloride is 667.22144 g/mol.
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