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
Structure for Misonidazole (DB11716)
- Weight
- Average: 201.182
Monoisotopic: 201.074955846 - Chemical Formula
- C7H11N3O4
- Synonyms
- Misonidazole
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when Misonidazole is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Misonidazole is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Misonidazole is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Misonidazole is combined with Benzyl alcohol. Bupivacaine The 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
- External Links
- PubChem Compound
- 26105
- PubChem Substance
- 347828079
- ChemSpider
- 24317
- ChEMBL
- CHEMBL42161
- Wikipedia
- Misonidazole
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Diagnostic Adenocarcinoma of Prostate 1 2 Recruiting Diagnostic Malignant Brain Neoplasm 1 Not Available Terminated Basic Science High 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
Property Value Source Water Solubility 6.8 mg/mL ALOGPS logP -0.27 ALOGPS logP 0.025 Chemaxon logS -1.5 ALOGPS pKa (Strongest Acidic) 13.97 Chemaxon pKa (Strongest Basic) -1.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 90.42 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 46.71 m3·mol-1 Chemaxon Polarizability 18.58 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0005-9300000000-67a4035b8d4b10fdfd6e Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 140.83325 predictedDeepCCS 1.0 (2019) [M+H]+ 144.48326 predictedDeepCCS 1.0 (2019) [M+Na]+ 153.29832 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:41 / Updated at February 21, 2021 18:53