ammodendrine
AlkaPlorer ID: AK010138
Synonym: '(+)-Spherocarpine', 'Ammodendrine', 'Spherocarpine', '1-acetyl-5-(2R)-piperidin-2-yl-1,2,3,4-tetrahydropyridine', '(+)-Ammodendrine'
IUPAC Name: 1-[5-[(2R)-piperidin-1-ium-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
Structure
SMILES: CC(=O)N1C=C([C@H]2CCCC[NH2+]2)CCC1
InChI: InChI=1S/C12H20N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h9,12-13H,2-8H2,1H3/p+1/t12-/m1/s1
InChIKey: APKLQIQRPUDADG-GFCCVEGCSA-O
Source
Properties Information
Molecule Weight: 209.313
TPSA？: 36.92
MolLogP？: 0.6284999999999995
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | LD50 | 94.1 | mg.kg-1 | 10.1021/np0580199 |