This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Imipramine oxide
- DrugBank Accession Number
- DB13782
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Imipramine oxide (DB13782)
- Weight
- Average: 296.414
Monoisotopic: 296.188863401 - Chemical Formula
- C19H24N2O
- Synonyms
- Imipramine N-oxide
- Imipraminoxide
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 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Imipramine oxide. Acarbose Imipramine oxide may decrease the hypoglycemic activities of Acarbose. Acebutolol Imipramine oxide may decrease the antihypertensive activities of Acebutolol. Aceclofenac The risk or severity of gastrointestinal bleeding can be increased when Imipramine oxide is combined with Aceclofenac. Acemetacin The risk or severity of gastrointestinal bleeding can be increased when Imipramine oxide is combined with Acemetacin. - Food Interactions
- Not Available
Categories
- ATC Codes
- N06AA03 — Imipramine oxide
- Drug Categories
- Agents that produce hypertension
- Agents that reduce seizure threshold
- Antidepressive Agents
- Antidepressive Agents, Tricyclic
- Central Nervous System Depressants
- Dibenzazepines
- Heterocyclic Compounds, Fused-Ring
- Narrow Therapeutic Index Drugs
- Nervous System
- Neurotoxic agents
- Non-Selective Monoamine Reuptake Inhibitors
- Psychoanaleptics
- Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzazepines
- Sub Class
- Dibenzazepines
- Direct Parent
- Dibenzazepines
- Alternative Parents
- Alkyldiarylamines / Azepines / Benzenoids / Trialkyl amine oxides / Trisubstituted amine oxides and derivatives / Azacyclic compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alkyldiarylamine / Amine / Aromatic heteropolycyclic compound / Azacycle / Azepine / Benzenoid / Dibenzazepine / Hydrocarbon derivative / N-oxide / Organic nitrogen compound
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8MKS280XJW
- CAS number
- 6829-98-7
- InChI Key
- QZIQORUGXBPDSU-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H24N2O/c1-21(2,22)15-7-14-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11H,7,12-15H2,1-2H3
- IUPAC Name
- 3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-N,N-dimethylpropanamine oxide
- SMILES
- CN(C)(=O)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12
References
- General References
- Not Available
- External Links
- ChemSpider
- 59031
- ChEBI
- 135256
- ChEMBL
- CHEMBL1614644
- ZINC
- ZINC000000001557
- Wikipedia
- Imipraminoxide
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
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 0.00428 mg/mL ALOGPS logP 1.1 ALOGPS logP 3.15 Chemaxon logS -4.8 ALOGPS pKa (Strongest Basic) 4.46 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 26.3 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 92.65 m3·mol-1 Chemaxon Polarizability 34.63 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes 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 splash10-0a5i-1390000000-5afdfd31ebc015d57de8 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]- 182.1285763 predictedDarkChem Lite v0.1.0 [M-H]- 159.68538 predictedDeepCCS 1.0 (2019) [M-H]- 182.1285763 predictedDarkChem Lite v0.1.0 [M-H]- 159.68538 predictedDeepCCS 1.0 (2019) [M+H]+ 182.9255763 predictedDarkChem Lite v0.1.0 [M+H]+ 162.04338 predictedDeepCCS 1.0 (2019) [M+H]+ 182.9255763 predictedDarkChem Lite v0.1.0 [M+H]+ 162.04338 predictedDeepCCS 1.0 (2019) [M+Na]+ 182.4697763 predictedDarkChem Lite v0.1.0 [M+Na]+ 168.13652 predictedDeepCCS 1.0 (2019) [M+Na]+ 182.4697763 predictedDarkChem Lite v0.1.0 [M+Na]+ 168.13652 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:48 / Updated at June 12, 2020 16:53