Cyanustine
AlkaPlorer ID: AK000307
Synonym: None
IUPAC Name: [(8R)-3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate;chloride
Structure
SMILES: C[C@@H]([C@](C(C)C)(C(=O)OCC1=CC[NH+]2[C@@H]1CCC2)O)O.[Cl-]
InChI: InChI=1S/C15H25NO4.ClH/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16;/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3;1H/t11-,13+,15+;/m0./s1
InChIKey: IAZXZAXZQOMXBB-QWMUGUDESA-N
Reference
The alkaloids of Cynoglossum australe R.Br. and C. amabile Stapf & Drummond
PubChem CID: 28846
CAS: 17958-39-3
Source
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Properties Information
Molecule Weight: 319.82899999999995
TPSA？: 71.2
MolLogP？: -3.7111999999999945
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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