TL;DR: Vecuronium Bromide (CAS 50700-72-6) is a chemical compound with molecular formula C34H57BrN2O4 and molecular weight 636.35016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
Also Known As: VECURONIUM BROMIDE, Norcuron, Vecuronium, Vecuronii bromidum, Musculax
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C34H57BrN2O4 |
| Molecular Weight | 636.35016 g/mol |
| XLogP | 2.97 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 636.35016 Da |
| Heavy Atoms | 41 |
| Complexity | 958.0 |
| SMILES | CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-] |
| InChIKey | VEPSYABRBFXYIB-PWXDFCLTSA-M |
The XLogP value of 2.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vecuronium Bromide. With a topological polar surface area (TPSA) of 55.8 Ų, Vecuronium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vecuronium Bromide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Vecuronium Bromide is 50700-72-6.
The molecular formula of Vecuronium Bromide is C34H57BrN2O4.
The molecular weight of Vecuronium Bromide is 636.35016 g/mol.
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