Apoquinine, dihydrochloride
4-[[(5E)-5-ethylidene-1-azoniabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-1-ium-6-ol dichloride
Also Known As: Apocupreine, dihydrochloride|APOQUININE, DIHYDROCHLORIDE|Cinchonan-6',9-diol, 3,10-didehydro-10,11-dihydro-, dihydrochloride, (3Z,8-alpha,9R)-|Cinchonan-6',9-diol, 3,10-didehydro-10,11-dihydro-, dihydrochloride, (3Z,8.alpha.,9R)-|4-[[(5E)-5-ethylidene-1-azoniabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-1-ium-6-ol dichloride
| Molecular Formula | C19H24Cl2N2O2 |
|---|---|
| Molecular Weight | 382.1215 g/mol |
| LogP | -4.9757 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.1215 |
| Monoisotopic Mass | 382.1215 |
| Heavy Atoms | 25 |
| Complexity | 781.1082 |
Chemical Identifiers
| CAS Number | 64046-94-2 |
|---|---|
| SMILES | C/C=C\1/C[NH+]2CCC1CC2C(C3=C4C=C(C=CC4=[NH+]C=C3)O)O.[Cl-].[Cl-] |
Product Overview
Apoquinine, dihydrochloride (CAS 64046-94-2), with molecular formula C19H24Cl2N2O2 and molecular weight 382.1215 g/mol. IUPAC: 4-[[(5E)-5-ethylidene-1-azoniabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-1-ium-6-ol dichloride.
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