Quadazocine mesylate
1-cyclopentyl-5-[(1R,9S)-4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]pentan-3-one;methanesulfonic acid
Also Known As: Quadazocine mesylate|Quadazocine mesilate|Win 44,441-3|WIN-44441-3|Methanesulfonic acid--1-cyclopentyl-5-(8-hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-yl)pentan-3-one (1/1)|Methanesulfonic acid--1-cyclopentyl-5-[(2S,6R)-8-hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-yl]pentan-3-one (1/1)
| Molecular Formula | C26H41NO5S |
|---|---|
| Molecular Weight | 479.27054 g/mol |
| LogP | 4.7401 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.27054 |
| Monoisotopic Mass | 479.27054 |
| Heavy Atoms | 33 |
| Complexity | 947.42896 |
Chemical Identifiers
| CAS Number | 71276-44-3 |
|---|---|
| SMILES | C[C@]12CCN([C@H](C1(C)CCC(=O)CCC3CCCC3)CC4=C2C=C(C=C4)O)C.CS(=O)(=O)O |
Product Overview
Quadazocine mesylate (CAS 71276-44-3), with molecular formula C26H41NO5S and molecular weight 479.27054 g/mol. IUPAC: 1-cyclopentyl-5-[(1R,9S)-4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]pentan-3-one;methanesulfonic acid.
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