9-Hydroxycinchonan-6'-yl 3-methylbutanoate
[4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] 3-methylbutanoate
Also Known As: 6'-Isovaleryloxycinchonine|6'-O-Isovalerylcupreidine|AC1L1I5F|9-hydroxycinchonan-6'-yl 3-methylbutanoate|Cinchonan-6',9-diol, 6'-(3-methylbutanoate), (9S)-|CINCHONINE, 6'-HYDROXY-, 6'-ISOVALERATE|[4-[ -hydroxy-methyl]quinolin-6-yl]3-methylbutanoate|Cinchonan-6',9-diol, 6'-(3-methylbutanoate), (9S)- (9CI)|[4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] 3-methylbutanoate
| Molecular Formula | C24H30N2O3 |
|---|---|
| Molecular Weight | 394.22565 g/mol |
| LogP | 4.12 |
| Topological Polar Surface Area | 62.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.22565 |
| Heavy Atoms | 29 |
| Complexity | 910.1 |
Chemical Identifiers
| CAS Number | 83348-48-5 |
|---|---|
| SMILES | CC(C)CC(=O)OC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
Product Overview
9-Hydroxycinchonan-6'-yl 3-methylbutanoate (CAS 83348-48-5), with molecular formula C24H30N2O3 and molecular weight 394.22565 g/mol. IUPAC: [4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] 3-methylbutanoate.
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