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Quinine hemisulfate

CAT: 0013-GTR19201819-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201819-01Size:25 mg
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Description
Quinine sulfate
CAS Number
804-63-7
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
OS (O) (=O) =O.COc1ccc2nccc ([C@@H] (O) [C@H]3C[C@@H]4CCN3C[C@@H]4C=C) c2c1
Molecular Formula
C40H50N4O8S
Molecular Weight
746.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quinine Sulfate

Quinine Sulfate is the sulfate salt form of the quinidine alkaloid isolate quinine. Quinine has many mechanisms of action, including reduction of oxygen intake and carbohydrate metabolism; disruption of DNA replication and transcription via DNA intercalation; and reduction of the excitability of muscle fibers via alteration of calcium distribution. This agent also inhibits the drug efflux pump P-glycoprotein which is overexpressed in multi-drug resistant tumors and may improve the efficacy of some antineoplastic agents. (NCI04)

CAS Number804-63-7
PubChem CID16051948
IUPAC Namebis((R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid
Molecular FormulaC40H50N4O8S
Molecular Weight746.9
Topological Polar Surface Area174
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count53
Formal Charge0
Complexity538
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
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
Chemical Structure
2D Structure
2D structure of Quinine Sulfate
CAS: 804-63-7
CID: 16051948
Formula: C40H50N4O8S
MW: 746.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight746.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass746.33493574
Monoisotopic Mass746.33493574
Topological Polar Surface Area174 Ų
Heavy Atom Count53
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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