Hydroquinine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Hydroquinine
Accession Number
DB13718
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
NSC-41799
Categories
UNII
31J3Q51T6L
CAS number
522-66-7
Weight
Average: 326.44
Monoisotopic: 326.199428085
Chemical Formula
C20H26N2O2
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcebutololAcebutolol may increase the arrhythmogenic activities of Hydroquinine.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of Hydroquinine.
AcetyldigoxinThe bioavailability of Acetyldigoxin can be increased when combined with Hydroquinine.
AdenosineAdenosine may increase the arrhythmogenic activities of Hydroquinine.
AgmatineAgmatine may increase the arrhythmogenic activities of Hydroquinine.
AjmalineAjmaline may increase the arrhythmogenic activities of Hydroquinine.
AlprenololAlprenolol may increase the arrhythmogenic activities of Hydroquinine.
AmiodaroneAmiodarone may increase the arrhythmogenic activities of Hydroquinine.
AmlodipineAmlodipine may increase the arrhythmogenic activities of Hydroquinine.
AnisodamineAnisodamine may increase the arrhythmogenic activities of Hydroquinine.
Additional Data Available
  • Extended Description
    Extended Description

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

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  • Action
    Action

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
108426
ChEBI
135994
ChEMBL
CHEMBL588934
ATC Codes
M09AA01 — Hydroquinine

Clinical Trials

Clinical Trials
Not Available

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
PropertyValueSource
Water Solubility0.312 mg/mLALOGPS
logP3.36ALOGPS
logP2.82ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)13.89ChemAxon
pKa (Strongest Basic)9.18ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area45.59 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity94.65 m3·mol-1ChemAxon
Polarizability36.79 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Cinchonan-skeleton / 4-quinolinemethanol / Quinoline / Anisole / Quinuclidine / Alkyl aryl ether / Aralkylamine / Piperidine / Pyridine / Benzenoid
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:47 / Updated on May 01, 2019 13:13