Cynaustraline hydrochloride
[(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride
Also Known As: Cynaustraline hydrochloride|AC1L1ZPH|RefChem:1082800|Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, hydrochloride, (1R-(1-alpha(2S*,3S*),7a-beta))-|[(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride
| Molecular Formula | C15H28ClNO4 |
|---|---|
| Molecular Weight | 321.1707 g/mol |
| LogP | -3.63 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1707 |
| Heavy Atoms | 21 |
| Complexity | 353.6 |
Chemical Identifiers
| CAS Number | 40158-94-9 |
|---|---|
| SMILES | C[C@@H]([C@](C(C)C)(C(=O)OC[C@H]1CC[NH+]2C1CCC2)O)O.[Cl-] |
Product Overview
Cynaustraline hydrochloride (CAS 40158-94-9), with molecular formula C15H28ClNO4 and molecular weight 321.1707 g/mol. IUPAC: [(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride.
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