6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)
Basic information
- CAS
18984-77-5- Standard SMILES
CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1.Cl.Cl- InChIKey
BHCOGFGUMGMUPP-XVQDCFBBSA-N- Molecular formula
- C21H30Cl2N2O2
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 412.1684336
Names & identifiers
- Preferred name
- 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)
- IUPAC
- (R)-(6-ethoxyquinolin-4-yl)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;dihydrochloride
Names & synonyms
DTXSID5094050818984-77-56'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)RefChem:1073527DTXCID401368970Ethylhydrocupreine dihydrochlorideOptochin dihydrochlorideNumoquin dihydrochlorideOptochin HClHydrocupreine, O-ethyl-, dihydrochlorideHydrocupreine ethyl ether, dihydrochloride(1xi,9R)-6'-Ethoxy-8alpha-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
18984-77-5- PubChem CID
- 87879
- DTXSID
DTXSID50940508
Properties
Computed structural properties
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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