Cyanustine
[(8R)-3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride
| Molecular Formula | C15H26ClNO4 |
|---|---|
| Molecular Weight | 319.82 g/mol |
| Topological Polar Surface Area | 71.2 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.15503 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 17958-39-3 |
|---|---|
| SMILES | CC(C)C(C(C)O)(C(=O)OCC1=CC[NH+]2C1CCC2)O.[Cl-] |
| InChIKey | IAZXZAXZQOMXBB-QWMUGUDESA-N |
📖 Product Overview
Cyanustine (CAS: 17958-39-3) is a chemical compound with molecular formula C15H26ClNO4 and molecular weight 319.82 g/mol. Its IUPAC systematic name is [(8R)-3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride.
IAZXZAXZQOMXBB-QWMUGUDESA-N.
SMILES: CC(C)C(C(C)O)(C(=O)OCC1=CC[NH+]2C1CCC2)O.[Cl-].
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