Imipramine oxide

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
Weight
Average: 296.414
Monoisotopic: 296.188863401
Chemical Formula
C19H24N2O
Synonyms
  • Imipramine N-oxide
  • Imipraminoxide

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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Imipramine oxide.
AcarboseImipramine oxide may decrease the hypoglycemic activities of Acarbose.
AcebutololImipramine oxide may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of gastrointestinal bleeding can be increased when Imipramine oxide is combined with Aceclofenac.
AcemetacinThe 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
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
ChemSpider
59031
ChEBI
135256
ChEMBL
CHEMBL1614644
ZINC
ZINC000000001557
Wikipedia
Imipraminoxide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00428 mg/mLALOGPS
logP1.1ALOGPS
logP3.15Chemaxon
logS-4.8ALOGPS
pKa (Strongest Basic)4.46Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area26.3 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity92.65 m3·mol-1Chemaxon
Polarizability34.63 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a5i-1390000000-5afdfd31ebc015d57de8
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]-182.1285763
predicted
DarkChem Lite v0.1.0
[M-H]-159.68538
predicted
DeepCCS 1.0 (2019)
[M-H]-182.1285763
predicted
DarkChem Lite v0.1.0
[M-H]-159.68538
predicted
DeepCCS 1.0 (2019)
[M+H]+182.9255763
predicted
DarkChem Lite v0.1.0
[M+H]+162.04338
predicted
DeepCCS 1.0 (2019)
[M+H]+182.9255763
predicted
DarkChem Lite v0.1.0
[M+H]+162.04338
predicted
DeepCCS 1.0 (2019)
[M+Na]+182.4697763
predicted
DarkChem Lite v0.1.0
[M+Na]+168.13652
predicted
DeepCCS 1.0 (2019)
[M+Na]+182.4697763
predicted
DarkChem Lite v0.1.0
[M+Na]+168.13652
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:48 / Updated at June 12, 2020 16:53