NAV

Valnoctamide

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

Identification

Generic Name
Valnoctamide
DrugBank Accession Number
DB13099
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 143.23
Monoisotopic: 143.131014171
Chemical Formula
C8H17NO
Synonyms
  • Valnoctamide
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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
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interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Valnoctamide.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Valnoctamide.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Valnoctamide.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Valnoctamide.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Valnoctamide.
Food Interactions
Not Available

Categories

ATC Codes
N05CM13 — Valnoctamide
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Aliphatic acyclic compound / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Fatty amide / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organonitrogen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3O25NRX9YG
CAS number
4171-13-5
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

References

General References
Not Available
PubChem Compound
20140
PubChem Substance
347829223
ChemSpider
18974
ChEBI
134767
ChEMBL
CHEMBL1075733
Wikipedia
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-MSsplash10-056u-9200000000-a24a68dd63dc37327d7d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-006w-9200000000-d3a781620c243da24b1c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-4900000000-740499269f6f7b55f5dd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dj-9000000000-bbd742b1548cd3ecebc7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-70260b7c10aad62e6767
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-9000000000-6c4f8ee03425dc086887
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-32db3a6ee0b2738e0782
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]-137.17477
predicted
DeepCCS 1.0 (2019)
[M+H]+139.46019
predicted
DeepCCS 1.0 (2019)
[M+Na]+148.49716
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 03:04 / Updated at February 21, 2021 18:54