Demexiptiline

Identification

Name
Demexiptiline
Accession Number
DB08998
Type
Small Molecule
Groups
Experimental
Description

Demexiptiline (Deparon, Tinoran) is a tricyclic antidepressant used in France for the treatment of depression. It acts primarily as a norepinephrine reuptake inhibitor similarly to desipramine.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Demexiptiline hydrochlorideULT22161QA18059-99-9MZTHMUGFMPRTIK-UHFFFAOYSA-N
International/Other Brands
Deparon / Tinoran
Categories
UNII
EYX738UZ5P
CAS number
24701-51-7
Weight
Average: 278.3483
Monoisotopic: 278.141913208
Chemical Formula
C18H18N2O
InChI Key
SEDQWOMFMIJKCU-UHFFFAOYSA-N
InChI
InChI=1S/C18H18N2O/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-11,19H,12-13H2,1H3
IUPAC Name
methyl({2-[({tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}amino)oxy]ethyl})amine
SMILES
CNCCON=C1C2=CC=CC=C2C=CC2=CC=CC=C12

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

Synthesis Reference

U.S. Patent 3,963,778.

General References
  1. Link [Link]
External Links
PubChem Compound
28876
PubChem Substance
310264959
ChemSpider
26858
ChEBI
135152
ChEMBL
CHEMBL2107576
Wikipedia
Demexiptiline

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)232-233U.S. Patent 3,963,778.
Predicted Properties
PropertyValueSource
Water Solubility0.00281 mg/mLALOGPS
logP3.21ALOGPS
logP3.82ChemAxon
logS-5ALOGPS
pKa (Strongest Basic)9.09ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area33.62 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity87.06 m3·mol-1ChemAxon
Polarizability32.45 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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Not Available
Sub Class
Not Available
Direct Parent
Benzenoids
Alternative Parents
Dialkylamines / Organopnictogen compounds / Organooxygen compounds / Hydrocarbon derivatives
Substituents
Benzenoid / Secondary amine / Secondary aliphatic amine / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Hydrocarbon derivative / Organooxygen compound / Organonitrogen compound / Amine
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on June 16, 2014 14:10 / Updated on November 02, 2018 08:57