Amitriptylinoxide

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

Identification

Name
Amitriptylinoxide
Accession Number
DB13114
Type
Small Molecule
Groups
Approved, Investigational
Description

Amitriptylinoxide has been used in trials studying Major Depression.

Structure
Thumb
Synonyms
Not Available
External IDs
J9.621K
Categories
UNII
TYR2U59WMA
CAS number
4317-14-0
Weight
Average: 293.41
Monoisotopic: 293.177964365
Chemical Formula
C20H23NO
InChI Key
ZPMKQFOGINQDAM-UHFFFAOYSA-N
InChI
InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
IUPAC Name
N,N-dimethyl-3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propanamine oxide
SMILES
CN(C)(=O)CCC=C1C2=CC=CC=C2CCC2=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
DrugInteraction
(1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINEThe serum concentration of Amitriptylinoxide can be increased when it is combined with (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE.
1,10-PhenanthrolineThe serum concentration of Amitriptylinoxide can be increased when it is combined with 1,10-Phenanthroline.
2,5-Dimethoxy-4-ethylamphetamineAmitriptylinoxide may increase the stimulatory activities of 2,5-Dimethoxy-4-ethylamphetamine.
2,5-Dimethoxy-4-ethylthioamphetamineAmitriptylinoxide may increase the stimulatory activities of 2,5-Dimethoxy-4-ethylthioamphetamine.
3,4-DichloroisocoumarinThe serum concentration of Amitriptylinoxide can be increased when it is combined with 3,4-Dichloroisocoumarin.
3,4-MethylenedioxyamphetamineAmitriptylinoxide may increase the stimulatory activities of 3,4-Methylenedioxyamphetamine.
4-(2-Aminoethyl)Benzenesulfonyl FluorideThe serum concentration of Amitriptylinoxide can be increased when it is combined with 4-(2-Aminoethyl)Benzenesulfonyl Fluoride.
4-Bromo-2,5-dimethoxyamphetamineAmitriptylinoxide may increase the stimulatory activities of 4-Bromo-2,5-dimethoxyamphetamine.
4-MethoxyamphetamineAmitriptylinoxide may decrease the antihypertensive activities of 4-Methoxyamphetamine.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the serotonergic activities of Amitriptylinoxide.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
20313
PubChem Substance
347829237
ChemSpider
19137
BindingDB
112778
ChEBI
135224
ChEMBL
CHEMBL627
Wikipedia
Amitriptylinoxide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Unknown StatusNot AvailableMajor Depressive Disorder (MDD)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 Solubility0.000277 mg/mLALOGPS
logP1.79ALOGPS
logP3.69ChemAxon
logS-6ALOGPS
pKa (Strongest Basic)4.04ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.88 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity103.55 m3·mol-1ChemAxon
Polarizability33.85 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

Taxonomy

Description
This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Dibenzocycloheptenes
Sub Class
Not Available
Direct Parent
Dibenzocycloheptenes
Alternative Parents
Trialkyl amine oxides / Trisubstituted amine oxides and derivatives / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Dibenzocycloheptene / Trialkyl amine oxide / Trisubstituted n-oxide / N-oxide / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Organic oxide / Hydrocarbon derivative / Organonitrogen compound
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 21:19 / Updated on October 08, 2018 21:36