Hydroquinine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Hydroquinine
- DrugBank Accession Number
- DB13718
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 326.44
Monoisotopic: 326.199428085 - Chemical Formula
- C20H26N2O2
- Synonyms
- Not Available
- External IDs
- NSC-41799
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAcebutolol Acebutolol may increase the arrhythmogenic activities of Hydroquinine. Acetyldigitoxin Acetyldigitoxin may increase the arrhythmogenic activities of Hydroquinine. Adenosine Adenosine may increase the arrhythmogenic activities of Hydroquinine. Ajmaline Ajmaline may increase the arrhythmogenic activities of Hydroquinine. Amiodarone The risk or severity of adverse effects can be increased when Amiodarone is combined with Hydroquinine. - Food Interactions
- Not Available
Categories
- ATC Codes
- M09AA01 — Hydroquinine
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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.
- Kingdom
- Organic compounds
- Super Class
- Alkaloids and derivatives
- Class
- Cinchona alkaloids
- Sub Class
- Not Available
- Direct Parent
- Cinchona alkaloids
- Alternative Parents
- 4-quinolinemethanols / Quinuclidines / Anisoles / Aralkylamines / Alkyl aryl ethers / Pyridines and derivatives / Piperidines / Heteroaromatic compounds / Trialkylamines / Secondary alcohols show 5 more
- Substituents
- 1,2-aminoalcohol / 4-quinolinemethanol / Alcohol / Alkyl aryl ether / Amine / Anisole / Aralkylamine / Aromatic alcohol / Aromatic heteropolycyclic compound / Azacycle show 18 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 31J3Q51T6L
- CAS number
- 522-66-7
- InChI Key
- LJOQGZACKSYWCH-WZBLMQSHSA-N
- InChI
- InChI=1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1
- IUPAC Name
- (R)-[(1S,2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol
- SMILES
- CC[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 108426
- 2468435
- ChEBI
- 135994
- ChEMBL
- CHEMBL588934
- ZINC
- ZINC000000389626
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.312 mg/mL ALOGPS logP 3.36 ALOGPS logP 2.82 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 13.89 Chemaxon pKa (Strongest Basic) 9.18 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 45.59 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 94.65 m3·mol-1 Chemaxon Polarizability 36.79 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0009000000-5fd9192ebf49428a6342 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004l-0498000000-0c955987e5cc615a03d5 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0009000000-154760bc96c0695902cf Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a70-0938000000-7dc41a151824cf123542 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0230-0921000000-da0b4f0d362a8e5e64c2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0abc-0910000000-a00a1d8b25080afa5400 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 194.6993924 predictedDarkChem Lite v0.1.0 [M-H]- 181.41057 predictedDeepCCS 1.0 (2019) [M+H]+ 194.6513924 predictedDarkChem Lite v0.1.0 [M+H]+ 183.80614 predictedDeepCCS 1.0 (2019) [M+Na]+ 193.9473924 predictedDarkChem Lite v0.1.0 [M+Na]+ 189.71866 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:47 / Updated at June 12, 2020 16:53