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Moxaverine

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

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Identification

Generic Name
Moxaverine
DrugBank Accession Number
DB12251
Background

Moxaverine has been investigated for the treatment of Retina, Ocular Physiology, and Regional Blood Flow.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 307.393
Monoisotopic: 307.15722892
Chemical Formula
C20H21NO2
Synonyms
  • Moxaverine
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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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Moxaverine Hydrochloride6R0I0E99CN1163-37-7DULZSDGCXSLVAQ-UHFFFAOYSA-N

Categories

ATC Codes
A03AD30 — Moxaverine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Sub Class
Benzylisoquinolines
Direct Parent
Benzylisoquinolines
Alternative Parents
Anisoles / Alkyl aryl ethers / Pyridines and derivatives / Benzene and substituted derivatives / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Alkyl aryl ether / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzylisoquinoline / Ether / Heteroaromatic compound / Hydrocarbon derivative / Monocyclic benzene moiety
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
P3P08Y1XJ4
CAS number
10539-19-2
InChI Key
MYCMTMIGRXJNSO-UHFFFAOYSA-N
InChI
InChI=1S/C20H21NO2/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3
IUPAC Name
1-benzyl-3-ethyl-6,7-dimethoxyisoquinoline
SMILES
CCC1=NC(CC2=CC=CC=C2)=C2C=C(OC)C(OC)=CC2=C1

References

General References
Not Available
PubChem Compound
70882
PubChem Substance
347828526
ChemSpider
64045
RxNav
52918
ChEBI
135307
ChEMBL
CHEMBL2105060
ZINC
ZINC000000001754
Wikipedia
Moxaverine

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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2CompletedBasic ScienceEffect of Orally Administrated Moxaverine on Ocular Blood Flow1somestatusstop reasonjust information to hide
2CompletedTreatmentIschemia1somestatusstop reasonjust information to hide
2CompletedTreatmentPhysiology, Ocular / Regional Blood Flow / Retina1somestatusstop reasonjust information to hide
2, 3CompletedTreatmentGlaucoma / Macular Degeneration / Regional Blood Flow1somestatusstop reasonjust information to hide

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00102 mg/mLALOGPS
logP5.01ALOGPS
logP4.23Chemaxon
logS-5.5ALOGPS
pKa (Strongest Basic)6.49Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area31.35 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity91.81 m3·mol-1Chemaxon
Polarizability35.02 Å3Chemaxon
Number of Rings3Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-42b9c8175ba599f5f7dd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-cdb78d0396dd00605fa2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-69f8395f46dafc419858
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0bti-0395000000-d4753653fe03815dd9ef
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fbi-6491000000-f1c93b54b3ad3a9867a4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-1970000000-d77050eb3c38243ce261
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]-189.5987482
predicted
DarkChem Lite v0.1.0
[M-H]-171.86696
predicted
DeepCCS 1.0 (2019)
[M+H]+189.6256482
predicted
DarkChem Lite v0.1.0
[M+H]+174.22496
predicted
DeepCCS 1.0 (2019)
[M+Na]+189.4835482
predicted
DarkChem Lite v0.1.0
[M+Na]+180.62788
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:43 / Updated at February 21, 2021 18:53