Chemical Property of (R)-[(2R,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol
Chemical Property:
- Melting Point:111-113°
- Refractive Index:1.5700 (estimate)
- Boiling Point:495.9°Cat760mmHg
- PKA:12.80±0.20(Predicted)
- Flash Point:253.7°C
- PSA:45.59000
- Density:1.21g/cm3
- LogP:3.11110
- Storage Temp.:2-8°C
- XLogP3:2.9
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:4
- Rotatable Bond Count:4
- Exact Mass:324.183778013
- Heavy Atom Count:24
- Complexity:457
- Purity/Quality:
-
97% *data from raw suppliers
9-epi-Quinidine *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:Xn
- Statements:
22-42/43
- Safety Statements:
22-36/37-45
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
- Isomeric SMILES:COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@H]3C[C@@H]4CCN3C[C@H]4C=C)O
- Recent ClinicalTrials:Effectiveness and Safety of Quinine Sulfate as add-on Therapy for COVID-19 in Hospitalized Adults in Indonesia ( DEAL-COVID19 )
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Description
This alkaloid is stereoisomeric with epiQuinine and occurs in 'Quinoidine', the
mixture of amorphous bases left after extraction of the four primary alkaloids of
Cinchona bark. It crystallizes in colourless leaflets from Et20 and is fluorescent
in dilute H2S04, It is dextrorotatory with [α]19D + 102.4° (c 0.8648, EtOH) and
furnishes a dihydrochloride, m.p. 195-6°C (dec.); [α]20D + 45.5° (c 0.8012,
EtOH); a hydrobromide, m.p. 240°C; thiocyanate, m.p. 193°C; [α]20D + 44.5°
(H20) and the dibenzoyl-(+)-tartrate, m.p. 167°C; [α]201D + 3.7° (c 0.8068,
EtOH-CHCI 3 ). Catalytic hydrogenation with Pd gives the dihydro derivative,
m.p. 122°C; [α]22D + 73.1° (c 0.766, EtOH).
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Uses
The 9-epimer of Quinidine (Q685000). Antimalarial.