Compound Summary
Quinine
Compound Information
Quinine
Compound Name: | Quinine |
Compound CID: | 3034034 |
Synonyms: | Quinine 130-95-0 Chinine (-)-Quinine Chinin More... |
Iupac Name: | (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol |
InChI: | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1 |
InChIKey: | LOUPRKONTZGTKE-WZBLMQSHSA-N |
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 |
Molecular Weight: | 324.4 |
Molecular Formula: | C20H24N2O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Quinine
Molecular Weight: | 324.4 |
Molecular Formula: | C20H24N2O2 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 24 |
Complexity: | 457 |
Synonyms
Quinine
| Quinine | Quinine |
|---|---|
Quinine |
130-95-0 |
Chinine |
(-)-Quinine |
Chinin |
6-Methoxycinchonidine |
(8S,9R)-Quinine |
quinine sulfate |
Quinine anhydrous |
(R)-(-)-quinine |
Quinine, Anhydrous |
Qualaquin |
chininum |
quinina |
quinine bisulphate |
Quinoline alkaloid |
UNII-A7V27PHC7A |
Aflukin |
Quinamm |
Quinine sulphate |
CHEBI:15854 |
Quinine HCl |
6-Methoxycinchonine |
MFCD00198096 |
A7V27PHC7A |
Cinchonan-9-ol, 6-methoxy-, (8a,9R)- |
(R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol |
Coco-Quinine |
NSC 5362 |
Cinchonan-9-ol, 6-methoxy-, (8alpha,9R)-" |
6-Methoxycinchonan-9-ol |
Quinine, tannate |
Chinin German |
Cinchonan-9-ol, 6-methoxy-, (8alpha,9R)-(+/-)- |
Quinine tannate |
Quinineanhydrous |
GNF-Pf-506 |
130-89-2 |
(5-ethenyl-1-azabicyclo2.2.2octan-2-yl)-(6-methoxy-4-quinolinyl)methanol |
(R)-(2S,4S,5R)-1-Aza-5-vinylbicyclo2.2.2-oct-2-yl(6-methoxyquinolin-4-yl)methanol |
(R)-(2S,4S,5R)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl(6-methoxyquinolin-4-yl)methanol |
72402-53-0 |
6-Methoxycinchonine |
Quinine BAN:NF |
CHEMBL170 |
Quinine tannate USP |
UNII-26MX5YAL2R |
NSC 192949 |
Quinsan |
(8-alpha,9R)-6-Methoxycinchonan-9-ol |
(R)-(-)-Quinine, 6-methoxycinchonidine |
CCRIS 5755 |
NSC192949 |
HSDB 2501 |
NSC-192949 |
(-)quinine |
QI9 |
EINECS 205-003-2 |
EINECS 215-805-4 |
Dentojel (*Bisulfate heptathydrate*) |
(8S,9R)-6-Methoxycinchonan-9-ol |
Biquinate (*Bisulfate heptathydrate*) |
Quinine, 90% |
NSC667852 |
(9R)-6-methoxy-8alpha-cinchonan-9-ol |
Quine (*2:1 Sulfate salt*, dihydrate) |
(8.alpha.,9R)-6-Methoxycinchonan-9-ol |
Quinamm (*2:1 Sulfate salt*), dihydrate |
Quinsan (*2:1 Sulfate salt*), dihydrate |
Epitope ID:131786 |
EC 205-003-2 |
(R)-(2S,4S,5R)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl-(6-methoxyquinolin-4-yl)methanol |
26MX5YAL2R |
SCHEMBL27031 |
Cinchonan-9-ol, 6-methoxy- |
GTPL2510 |
DTXSID0044280 |
Cinchonan-9-ol, 6-methoxy-, (8.alpha.,9R)-, sulfate |
(R)-(6-Methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol |
HMS2089E05 |
2-Quinuclidinemethanol, alpha-(6-methoxy-4-quinolyl)-5-vinyl- |
ACT08125 |
STR03990 |
ZINC3831404 |
BDBM50367247 |
s4495 |
AKOS017343662 |
ACN-048717 |
DB00468 |
1407-83-6 |
I951 |
WR297608 |
AB0013943 |
X7113 |
(3alpha,8alpha,9R)-6-methoxycinchonan-9-ol |
O12066 |
18785-EP2272972A1 |
18785-EP2272973A1 |
18785-EP2275102A1 |
18785-EP2275411A2 |
18785-EP2277872A1 |
18785-EP2287153A1 |
18785-EP2305655A2 |
18785-EP2308883A1 |
18785-EP2314576A1 |
AB00375052-11 |
AB00375052-12 |
AB00375052_13 |
Cinchonan-9-ol, 6-methoxy-, (8-alpha,9R)- |
Q189522 |
Quinine, certified reference material, TraceCERT(R) |
BRD-K07940445-003-01-2 |
Q27166273 |
Z2235811384 |
(R)-(6-methoxy-4-quinolyl)-(2S,4S,5R)-5-vinylquinuclidin-2-ylmethanol |
(R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol |
(1R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol |
Quinine, suitable for fluorescence, anhydrous, >=98.0% (dried material, NT) |
(alphaR)-alpha-(4S)-5beta-Vinyl-1-azabicyclo2.2.2octane-2alpha-yl-6-methoxyquinoline-4-methanol |
(R)-(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl(6-methoxyquinolin-4-yl)methanol |
(R)-(4S,5R,7S)-5-ethenyl-1-azabicyclo2.2.2octan-7-yl-(6-methoxyquinolin-4-yl)methanol |
Experimental Data
Quinine
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 0.100000000000000 | ug/mL | 11.000000000000000 | 11.200000000000000 | 0.020000000000000 | 19.000000000000000 | 18.000000000000000 | -0.050000000000000 | NS | N2 | 29550283 | Inactive |
Experimental Data Visualization
Quinine
Statistics Data
Quinine
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.020000000000000 | -0.050000000000000 | 1 | 1 |
Statistics Data Visualization
Quinine
