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Euquinine - 98%, high purity , CAS No.83-75-0
Basic Description
Synonyms
quinine ethylcarbonate | EUQUININE | 83-75-0 | QUININE ETHYL CARBONATE | Aecachinium | Euquinin | Quinine etabonate | DTXSID0045965 | NSC-755879 | L2V8911157 | Ethyl quinine carbonate | Cinchonan-9-ol,6'-methoxy-, 9-(ethyl carbonate), (8a,9R)- | Aecachinium; Euquinin; Euquinine |
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Euquinine is generally used as a febrifuge, antimalarial, and tonic.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Euquinine is generally used as a febrifuge, antimalarial, and tonic.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Cinchona alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinchona alkaloids
Alternative Parents
Quinolines and derivatives Quinuclidines Anisoles Aralkylamines Alkyl aryl ethers Pyridines and derivatives Piperidines Carbonic acid diesters Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinchonan-skeleton - Quinoline - Anisole - Quinuclidine - Aralkylamine - Alkyl aryl ether - Carbonic acid diester - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Carbonic acid derivative - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Amine - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] ethyl carbonate
INCHI
InChI=1S/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-3H3/t15-,16-,21-,22+/m0/s1
InChIKey
NSBRKSWSLRQPJW-WWLNLUSPSA-N
Smiles
CCOC(=O)OC(C1CC2CCN1CC2C=C)C3=C4C=C(C=CC4=NC=C3)OC
Isomeric SMILES
CCOC(=O)O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)C3=C4C=C(C=CC4=NC=C3)OC
Molecular Weight
396.48
Reaxy-Rn
97651
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=97651&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
396.500 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
8
Exact Mass
396.205 Da
Monoisotopic Mass
396.205 Da
Topological Polar Surface Area
60.900 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
585.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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