Vecuronium
[(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
| Molecular Formula | C34H57N2O4+ |
|---|---|
| Molecular Weight | 557.8 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 55.8 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 557.4318 |
| Heavy Atoms | 40 |
| Complexity | 958.0 |
Chemical Identifiers
| CAS Number | 86029-43-8 |
|---|---|
| SMILES | CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C |
| InChIKey | BGSZAXLLHYERSY-XQIGCQGXSA-N |
📖 Product Overview
Vecuronium (CAS: 86029-43-8) is a chemical compound with molecular formula C34H57N2O4+ and molecular weight 557.8 g/mol. Its IUPAC systematic name is [(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.
BGSZAXLLHYERSY-XQIGCQGXSA-N.
SMILES: CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.
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