(8alpha)-6'-Methoxycinchonan
Basic information
- CAS
14528-51-9- Standard SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2Cc1ccnc2ccc(OC)cc12- InChIKey
VZRLVENHGDTDDU-ZOBUZTSGSA-N- Molecular formula
- C20H24N2O
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.18886339
Names & identifiers
- Preferred name
- (8alpha)-6'-Methoxycinchonan
- IUPAC
- 4-[[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline
- English name
- (8alpha)-6'-methoxycinchonan
- Molecular formula
- C20H24N2O
- Molecular weight
- 308.42
Names & synonyms
DeoxyquinineUNII-0H2A02V2ZR(8alpha)-6'-Methoxycinchonan0H2A02V2ZR9-DEOXYQUININEEINECS 238-547-4QUININE, 9-DEOXY-CINCHONAN, 6'-METHOXY-, (8.ALPHA.)-RefChem:69794CINCHONAN, 6'-METHOXY-, (8ALPHA)-VZRLVENHGDTDDU-UHFFFAOYSA-N14528-51-9
Show more names
(8α)-6'-MethoxycinchonanCinchonan, 6'-methoxy-, (8α)-
6'-Methoxy-8alpha-cinchonanDTXSID601312892(8I+/-)-6a(2)-Methoxycinchonan4-[[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinolineNS00053894Q27236774
Database identifiers
- CAS
14528-51-9- PubChem CID
- 84496
- DTXSID
DTXSID601312892- UNII
- 0H2A02V2ZR
- EC Number
- 238-547-4
- Nikkaji
- J241.286A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Boiling point
- 450.801 · 450.801±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.149 · 1.149±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.305 · 9.305±0.10(predicted)
- FDA UNII
- 0 H2A02V2ZR · 0H2A02V2ZR
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Compound notes
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