Compound Summary
quinine sulfate
Compound Information
quinine sulfate
Compound Name: | quinine sulfate |
Compound CID: | 16051948 |
Synonyms: | quinine sulfate 804-63-7 Quinine sulphate UNII-M4XCR57IWG M4XCR57IWG More... |
Iupac Name: | (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid |
InChI: | InChI=1S/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14-,19-,20+;/m00./s1 |
InChIKey: | RONWGALEIBILOG-VMJVVOMYSA-N |
Canonical Smiles: | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O |
Isomeric Smiles: | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O |
Molecular Weight: | 746.9 |
Molecular Formula: | C40H50N4O8S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
quinine sulfate
Molecular Weight: | 746.9 |
Molecular Formula: | C40H50N4O8S |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 53 |
Complexity: | 538 |
Synonyms
quinine sulfate
| quinine sulfate | quinine sulfate |
|---|---|
quinine sulfate |
804-63-7 |
Quinine sulphate |
UNII-M4XCR57IWG |
M4XCR57IWG |
QUININE SULFATE (2:1) |
Aflukin |
Quinine hydrogen sulphate |
Quinine sulfate anhydrous |
Quinidine sulphate |
Cinchonan-9-ol, 6-methoxy-, (8alpha,9R)-, sulfate (2:1) |
Quine |
Coco-Quinine |
Quinine bisulfate |
(R)-(2S,4S,5R)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl-(6-methoxyquinolin-4-yl)methanol sulfate (2:1) |
Quinine, sulfate |
NSC 5362 |
Quinine hydrogen sulfate |
Legatrin |
(R)-(6-methoxy-4-quinolyl)-(2S,4S,5R)-5-vinylquinuclidin-2-ylmethanol; sulfuric acid |
Quinine sulfate (VAN) |
SCHEMBL41278 |
DTXSID50859000 |
EINECS 212-359-2 |
AKOS017343635 |
ACN-048719 |
Quinine, sulfate (2:1) (salt) (8CI) |
50-54-4 |
A864691 |
W-105183 |
Q27123328 |
Cinchonan-9-ol, 6-methoxy-, (8alpha,9R)-, sulfate (2:1) (salt) |
(R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol hemisulfate |
Experimental Data
quinine sulfate
| 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 | 33.000000000000000 | umol/L | -5.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
quinine sulfate
Statistics Data
quinine sulfate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -5.000000000000000 | 1 | 1 |
Statistics Data Visualization
quinine sulfate
