Hydroquinine

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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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
AcebutololAcebutolol may increase the arrhythmogenic activities of Hydroquinine.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of Hydroquinine.
AdenosineAdenosine may increase the arrhythmogenic activities of Hydroquinine.
AjmalineAjmaline may increase the arrhythmogenic activities of Hydroquinine.
AmiodaroneThe 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
ChemSpider
108426
RxNav
2468435
ChEBI
135994
ChEMBL
CHEMBL588934
ZINC
ZINC000000389626

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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/MSsplash10-004i-0009000000-5fd9192ebf49428a6342
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004l-0498000000-0c955987e5cc615a03d5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-154760bc96c0695902cf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a70-0938000000-7dc41a151824cf123542
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0230-0921000000-da0b4f0d362a8e5e64c2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0abc-0910000000-a00a1d8b25080afa5400
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-194.6993924
predicted
DarkChem Lite v0.1.0
[M-H]-181.41057
predicted
DeepCCS 1.0 (2019)
[M+H]+194.6513924
predicted
DarkChem Lite v0.1.0
[M+H]+183.80614
predicted
DeepCCS 1.0 (2019)
[M+Na]+193.9473924
predicted
DarkChem Lite v0.1.0
[M+Na]+189.71866
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at June 12, 2020 16:53