NAV

Quinisocaine

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

Identification

Generic Name
Quinisocaine
DrugBank Accession Number
DB13683
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 272.392
Monoisotopic: 272.188863401
Chemical Formula
C17H24N2O
Synonyms
  • Dimethisoquin
  • Quinisocaine

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
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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
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interactions in your software
AbemaciclibThe risk or severity of methemoglobinemia can be increased when Abemaciclib is combined with Quinisocaine.
AbirateroneThe risk or severity of methemoglobinemia can be increased when Abiraterone is combined with Quinisocaine.
AcetaminophenThe risk or severity of methemoglobinemia can be increased when Acetaminophen is combined with Quinisocaine.
AcetazolamideThe risk or severity of methemoglobinemia can be increased when Acetazolamide is combined with Quinisocaine.
Acetic acidThe risk or severity of methemoglobinemia can be increased when Acetic acid is combined with Quinisocaine.
Acetyl sulfisoxazoleThe risk or severity of methemoglobinemia can be increased when Acetyl sulfisoxazole is combined with Quinisocaine.
AdagrasibThe risk or severity of methemoglobinemia can be increased when Adagrasib is combined with Quinisocaine.
AfatinibThe risk or severity of methemoglobinemia can be increased when Afatinib is combined with Quinisocaine.
AldesleukinThe risk or severity of methemoglobinemia can be increased when Aldesleukin is combined with Quinisocaine.
AlectinibThe risk or severity of methemoglobinemia can be increased when Alectinib is combined with Quinisocaine.
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Food Interactions
Not Available

Categories

ATC Codes
D04AB05 — Quinisocaine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Sub Class
Not Available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Alkyl aryl ethers / Pyridines and derivatives / Benzenoids / Heteroaromatic compounds / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Alkyl aryl ether / Amine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Ether / Heteroaromatic compound / Hydrocarbon derivative / Isoquinoline / Organic nitrogen compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
772EN3BH6I
CAS number
86-80-6
InChI Key
XNMYNYSCEJBRPZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3
IUPAC Name
{2-[(3-butylisoquinolin-1-yl)oxy]ethyl}dimethylamine
SMILES
CCCCC1=CC2=CC=CC=C2C(OCCN(C)C)=N1

References

General References
Not Available
ChemSpider
6596
BindingDB
50225699
ChEBI
93295
ChEMBL
CHEMBL127643
ZINC
ZINC000001671507
Wikipedia
Quinisocaine

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 Solubility0.0655 mg/mLALOGPS
logP3.91ALOGPS
logP3.92Chemaxon
logS-3.6ALOGPS
pKa (Strongest Basic)8.64Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area25.36 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity83.57 m3·mol-1Chemaxon
Polarizability32.99 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54