NAV

Idazoxan

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

Identification

Generic Name
Idazoxan
DrugBank Accession Number
DB12551
Background

Idazoxan has been used in trials studying the basic science of Molecular Imaging, Alzheimer Disease, and Major Depressive Disorder.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 204.229
Monoisotopic: 204.089877634
Chemical Formula
C11H12N2O2
Synonyms
  • Idazoxan
  • idazoxano
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
AcebutololIdazoxan may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Idazoxan.
AcemetacinThe risk or severity of hypertension can be increased when Idazoxan is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Idazoxan.
AlclofenacThe risk or severity of hypertension can be increased when Idazoxan is combined with Alclofenac.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzodioxanes
Sub Class
Benzo-1,4-dioxanes
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
Alkyl aryl ethers / Para dioxins / Imidolactams / Benzenoids / Imidazolines / Propargyl-type 1,3-dipolar organic compounds / Oxacyclic compounds / Carboximidamides / Carboxamidines / Azacyclic compounds
show 2 more
Substituents
2-imidazoline / Alkyl aryl ether / Amidine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzo-1,4-dioxane / Carboximidamide / Carboxylic acid amidine / Ether
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
ring assembly, benzodioxine, imidazolines (CHEBI:5862)
Affected organisms
Not Available

Chemical Identifiers

UNII
Y310PA316B
CAS number
79944-58-4
InChI Key
HPMRFMKYPGXPEP-UHFFFAOYSA-N
InChI
InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
IUPAC Name
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
SMILES
C1CN=C(N1)C1COC2=CC=CC=C2O1

References

General References
Not Available
KEGG Compound
C10968
PubChem Compound
54459
PubChem Substance
347828776
ChemSpider
49184
BindingDB
50019848
ChEBI
5862
ChEMBL
CHEMBL10316
Wikipedia
Idazoxan

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3WithdrawnNot AvailableMajor Depressive Disorder (MDD)1
1RecruitingTreatmentHealthy Subjects (HS)1
0CompletedBasic ScienceAlzheimer's Disease (AD) / Healthy Subjects (HS) / Molecular Imaging1
0TerminatedBasic ScienceAlzheimer's Disease (AD)1

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 Solubility1.37 mg/mLALOGPS
logP1.01ALOGPS
logP0.77Chemaxon
logS-2.2ALOGPS
pKa (Strongest Basic)8.62Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area42.85 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity54.55 m3·mol-1Chemaxon
Polarizability21.08 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-0a4i-0090000000-fe854d06e1e0fec9d0ca
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-4900000000-533d35dbdf386aafd952
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1290000000-86919c44ac582363fda7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052g-9200000000-80f8c8f18e5f9561563c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a5l-9600000000-60a93caf9bf1d708467c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-6900000000-11e44adb64e51b2b63c7
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]-138.1639
predicted
DeepCCS 1.0 (2019)
[M+H]+141.10083
predicted
DeepCCS 1.0 (2019)
[M+Na]+149.88068
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:49 / Updated at February 21, 2021 18:53