Quinine formate
(R)-[(2S,5R)-2-amino-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;formic acid
Also Known As: Quinine formate|Quinoform|Quinine, formate (salt)|EINECS 205-002-7|Formic acid, compd. with quinine (1:1)|(R)-[(2S,5R)-2-amino-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; formic acid
| Molecular Formula | C21H27N3O4 |
|---|---|
| Molecular Weight | 385.20016 g/mol |
| LogP | 2.16 |
| Topological Polar Surface Area | 108.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.20016 |
| Heavy Atoms | 28 |
| Complexity | 858.7 |
Chemical Identifiers
| CAS Number | 130-90-5 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@]3(CC4CCN3C[C@@H]4C=C)N)O.C(=O)O |
Product Overview
Quinine formate (CAS 130-90-5), with molecular formula C21H27N3O4 and molecular weight 385.20016 g/mol. IUPAC: (R)-[(2S,5R)-2-amino-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;formic acid.
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