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Basic Description
| Synonyms | Quinine 2HCl | AKOS027427032 | Quinine (dihydrochloride) | Quininedihydrochloride | (R)-(6-Methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol dihydrochloride | Chinindihydrochlorid [German] | Cinchonan-9-ol, 6'-methoxy-, dihydrochloride, |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at -20°C,Desiccated |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Quinine Dihydrochloride is a primary alkaloid of various species of Cinchona (Rubiaceae). It is also an antimalarial and muscle relaxant (skeletal). |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Alkaloids and derivatives
- Class Cinchona alkaloids
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Superclass
Alkaloids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Cinchona alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinchona alkaloids |
| Alternative Parents | 4-quinolinemethanols Quinuclidines Anisoles Alkyl aryl ethers Aralkylamines Pyridines and derivatives Piperidines Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols Hydrochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cinchonan-skeleton - 4-quinolinemethanol - Quinoline - Anisole - Quinuclidine - Alkyl aryl ether - Aralkylamine - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ether - Azacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Hydrochloride - Organic oxygen compound - Aromatic alcohol - 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 |
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Names and Identifiers
| Pubchem Sid | 504756057 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756057 |
| IUPAC Name | (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrochloride |
| INCHI | InChI=1S/C20H24N2O2.2ClH/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;2*1H/t13-,14-,19-,20+;;/m0../s1 |
| InChIKey | NNKXWRRDHYTHFP-HZQSTTLBSA-N |
| Smiles | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Cl.Cl |
| Isomeric SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.Cl.Cl |
| PubChem CID | 91429 |
| Molecular Weight | 397.339 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2210770 |
Certificate of Analysis | Apr 01, 2025 | Q304127 |
| F2210581 |
Certificate of Analysis | Apr 01, 2025 | Q304127 |
| F2210580 |
Certificate of Analysis | Apr 01, 2025 | Q304127 |
| F2210578 |
Certificate of Analysis | Apr 01, 2025 | Q304127 |
Chemical and Physical Properties
| Solubility | DMSO: 10 mM |
|---|---|
| Flash Point(°C) | 253.7ºC |
| Boil Point(°C) | 495.9ºC at 760 mmHg |
| Melt Point(°C) | 238-240 °C |
| Molecular Weight | 397.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 396.137 Da |
| Monoisotopic Mass | 396.137 Da |
| Topological Polar Surface Area | 45.600 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 457.000 |
| 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 | 3 |
Solution Calculators
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