NAV

Misonidazole

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

Identification

Generic Name
Misonidazole
DrugBank Accession Number
DB11716
Background

Misonidazole is under investigation in clinical trial NCT00038038 (Assessment of Head and Neck Tumor Hypoxia Using 18F-Fluoromisonidazole).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 201.182
Monoisotopic: 201.074955846
Chemical Formula
C7H11N3O4
Synonyms
  • Misonidazole
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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
AmbroxolThe risk or severity of methemoglobinemia can be increased when Misonidazole is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Misonidazole is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Misonidazole is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Misonidazole is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Misonidazole is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
Kingdom
Organic compounds
Super Class
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Sub Class
Organic nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
N-substituted imidazoles / Heteroaromatic compounds / Secondary alcohols / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Dialkyl ethers / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic zwitterions
show 2 more
Substituents
Alcohol / Aromatic heteromonocyclic compound / Azacycle / Azole / Dialkyl ether / Ether / Heteroaromatic compound / Hydrocarbon derivative / Imidazole / N-substituted imidazole
show 12 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8FE7LTN8XE
CAS number
13551-87-6
InChI Key
OBBCSXFCDPPXOL-UHFFFAOYSA-N
InChI
InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3
IUPAC Name
1-methoxy-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol
SMILES
COCC(O)CN1C=CN=C1[N+]([O-])=O

References

General References
Not Available
PubChem Compound
26105
PubChem Substance
347828079
ChemSpider
24317
ChEMBL
CHEMBL42161
Wikipedia
Misonidazole

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedDiagnosticAdenocarcinoma of Prostate1
2RecruitingDiagnosticMalignant Brain Neoplasm1
Not AvailableTerminatedBasic ScienceHigh Grade Glioma: Glioblastoma (GBM)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 Solubility6.8 mg/mLALOGPS
logP-0.27ALOGPS
logP0.025Chemaxon
logS-1.5ALOGPS
pKa (Strongest Acidic)13.97Chemaxon
pKa (Strongest Basic)-1.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area90.42 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity46.71 m3·mol-1Chemaxon
Polarizability18.58 Å3Chemaxon
Number of Rings1Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0005-9300000000-67a4035b8d4b10fdfd6e
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]-140.83325
predicted
DeepCCS 1.0 (2019)
[M+H]+144.48326
predicted
DeepCCS 1.0 (2019)
[M+Na]+153.29832
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:41 / Updated at February 21, 2021 18:53