Valnoctamide

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

Identification

Name
Valnoctamide
Accession Number
DB13099
Type
Small Molecule
Groups
Investigational
Description

Valnoctamide has been used in trials studying the treatment of Mania and Schizoaffective Disorder, Manic Type.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
3O25NRX9YG
CAS number
4171-13-5
Weight
Average: 143.23
Monoisotopic: 143.131014171
Chemical Formula
C8H17NO
InChI Key
QRCJOCOSPZMDJY-UHFFFAOYSA-N
InChI
InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)
IUPAC Name
2-ethyl-3-methylpentanamide
SMILES
CCC(C)C(CC)C(N)=O

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
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when Valnoctamide is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
3,4-MethylenedioxyamphetamineThe risk or severity of adverse effects can be increased when 3,4-Methylenedioxyamphetamine is combined with Valnoctamide.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Valnoctamide.
4-MethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with Valnoctamide.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of adverse effects can be increased when Valnoctamide is combined with 5-methoxy-N,N-dimethyltryptamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Valnoctamide.
AcepromazineThe risk or severity of adverse effects can be increased when Acepromazine is combined with Valnoctamide.
AceprometazineThe risk or severity of adverse effects can be increased when Aceprometazine is combined with Valnoctamide.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Valnoctamide.
AcetophenazineThe risk or severity of adverse effects can be increased when Acetophenazine is combined with Valnoctamide.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
20140
PubChem Substance
347829223
ChemSpider
18974
ChEBI
134767
ChEMBL
CHEMBL1075733
Wikipedia
Valnoctamide
ATC Codes
N05CM13 — Valnoctamide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentMania / Schizoaffective Disorder, Manic Type1

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 Solubility4.42 mg/mLALOGPS
logP1.77ALOGPS
logP1.83ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)17.09ChemAxon
pKa (Strongest Basic)-1.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area43.09 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity42.02 m3·mol-1ChemAxon
Polarizability17.1 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
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 fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Fatty amides
Direct Parent
Fatty amides
Alternative Parents
Primary carboxylic acid amides / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Fatty amide / Primary carboxylic acid amide / Carboxamide group / Carboxylic acid derivative / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Organic oxide / Hydrocarbon derivative / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 21:04 / Updated on November 02, 2018 07:34