TL;DR: (+/-)-Niguldipine (CAS 102993-22-6) is a chemical compound with molecular formula C36H39N3O6 and molecular weight 609.2839 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: NIGULDIPINE, Dexniguldipine, Niguldipino, Niguldipinum, DL-Niguldipine
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C36H39N3O6 |
| Molecular Weight | 609.2839 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 609.2839 Da |
| Heavy Atoms | 45 |
| Complexity | 1100.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC |
| InChIKey | SVJMLYUFVDMUHP-UHFFFAOYSA-N |
The XLogP value of 6.8 indicates that (+/-)-Niguldipine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (+/-)-Niguldipine. Following Lipinski's Rule of Five, (+/-)-Niguldipine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (+/-)-Niguldipine is 102993-22-6.
The molecular formula of (+/-)-Niguldipine is C36H39N3O6.
The molecular weight of (+/-)-Niguldipine is 609.2839 g/mol.
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