Supinin hydrochloride
3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-ylmethyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride
Also Known As: Supinin hydrochloride|Supinine hydrochloride|AC1L1SMW|AC1Q1SHF|RefChem:1080306|Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, hydrochloride, (7aS-(7(2R*,3S*),7aR*))-|3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-ylmethyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride|7-({[(3s)-2,3-dihydroxy-2-(propan-2-yl)butanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizinium chloride
| Molecular Formula | C15H26ClNO4 |
|---|---|
| Molecular Weight | 319.15503 g/mol |
| LogP | -3.71 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.15503 |
| Heavy Atoms | 21 |
| Complexity | 400.5 |
Chemical Identifiers
| CAS Number | 106455-44-1 |
|---|---|
| SMILES | C[C@@H](C(C(C)C)(C(=O)OCC1=CC[NH+]2C1CCC2)O)O.[Cl-] |
Product Overview
Supinin hydrochloride (CAS 106455-44-1), with molecular formula C15H26ClNO4 and molecular weight 319.15503 g/mol. IUPAC: 3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-ylmethyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride.
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