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Basic Description
| Synonyms | AC-6224 | HY-B0433A | S2502 | FEMA NO. 2976, DIHYDRATE- | Quinine.HCl.dihydrate | (-)-Quinine hydrochloride dihydrate | (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride | 711S8Y0T33 | QUININ |
|---|---|
| Specifications & Purity | ≥99% |
| Shipped In | Normal |
| Product Description |
It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor. |
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 Hydrochlorides Hydrocarbon derivatives Aromatic alcohols Organic oxides 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 - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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 | 488199091 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488199091 |
| IUPAC Name | (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride |
| INCHI | InChI=1S/C20H24N2O2.ClH.2H2O/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;1H;2*1H2/t13-,14-,19-,20+;;;/m0.../s1 |
| InChIKey | MPQKYZPYCSTMEI-FLZPLBAKSA-N |
| Smiles | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.Cl |
| Isomeric SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.Cl |
| WGK Germany | 3 |
| RTECS | VA7700000 |
| PubChem CID | 16211283 |
| Molecular Weight | 396.91 |
| Beilstein | 6112655 |
| Reaxy-Rn | 8370495 |
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 |
|---|---|---|---|
 K2019156 |
Certificate of Analysis | Sep 14, 2024 | Q107527 |
| L1906118 |
Certificate of Analysis | Sep 07, 2023 | Q107527 |
| B2317133 |
Certificate of Analysis | Feb 20, 2023 | Q107527 |
| B2317141 |
Certificate of Analysis | Feb 20, 2023 | Q107527 |
| C23241461 |
Certificate of Analysis | Feb 03, 2023 | Q107527 |
| C23241468 |
Certificate of Analysis | Feb 03, 2023 | Q107527 |
| C23241379 |
Certificate of Analysis | Feb 03, 2023 | Q107527 |
| C23241382 |
Certificate of Analysis | Feb 03, 2023 | Q107527 |
| C23241383 |
Certificate of Analysis | Feb 03, 2023 | Q107527 |
| E2513016 |
Certificate of Analysis | Feb 03, 2023 | Q107527 |
| H2213246 |
Certificate of Analysis | May 25, 2022 | Q107527 |
| H2213242 |
Certificate of Analysis | May 25, 2022 | Q107527 |
| H2213245 |
Certificate of Analysis | May 25, 2022 | Q107527 |
| H2213247 |
Certificate of Analysis | May 25, 2022 | Q107527 |
| B2317138 |
Certificate of Analysis | Nov 04, 2021 | Q107527 |
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Chemical and Physical Properties
| Solubility | Sparingly soluble in water.(0.26 g/L) (25°C) |
|---|---|
| Sensitivity | light sensitive |
| Specific Rotation[α] | -245 to -255 deg(C=2, 0.1mol/l HCl(calcd.on dried substance) |
| Melt Point(°C) | 160℃ |
| Molecular Weight | 396.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 396.182 Da |
| Monoisotopic Mass | 396.182 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 27 |
| 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 | 4 |
Citations of This Product
| 1. Lancheng Wang, Huimin Zhou, Kun Yan, Peng Xu, Bin Di, Chi Hu, Mengxiang Su. (2021) Using dual exonucleases to finely distinguish structural adjustment of aptamers for small-molecule detection. RSC Advances, 11 (52): (32898-32903). |
| 2. Jieyao Yu, Yan Liu, Shaorong Zhang, Liyong Luo, Liang Zeng. (2021) Effect of brewing conditions on phytochemicals and sensory profiles of black tea infusions: A primary study on the effects of geraniol and β-ionone on taste perception of black tea infusions. FOOD CHEMISTRY, 354 (129504). |
| 3. Xuan Luo, Susu Cui, Weiwei Yang, Yongsheng Yu. (2025) An electrochemical quinine detection approach based on small molecule promoted split aptamer click ligation reaction. TALANTA, 292 (127916). |
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