Valnoctamide
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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
- Weight
- Average: 143.23
Monoisotopic: 143.131014171 - Chemical Formula
- C8H17NO
- Synonyms
- Valnoctamide
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Valnoctamide. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Valnoctamide. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Valnoctamide. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Valnoctamide. Alfentanil The 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
- External Links
- PubChem Compound
- 20140
- PubChem Substance
- 347829223
- ChemSpider
- 18974
- ChEBI
- 134767
- ChEMBL
- CHEMBL1075733
- Wikipedia
- Valnoctamide
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Mania / Schizoaffective Disorder, Manic Type 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
Property Value Source Water Solubility 4.42 mg/mL ALOGPS logP 1.77 ALOGPS logP 1.83 Chemaxon logS -1.5 ALOGPS pKa (Strongest Acidic) 17.09 Chemaxon pKa (Strongest Basic) -1.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 43.09 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 42.02 m3·mol-1 Chemaxon Polarizability 17.1 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-056u-9200000000-a24a68dd63dc37327d7d Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-006w-9200000000-d3a781620c243da24b1c Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-4900000000-740499269f6f7b55f5dd Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00dj-9000000000-bbd742b1548cd3ecebc7 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9100000000-70260b7c10aad62e6767 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-006x-9000000000-6c4f8ee03425dc086887 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-32db3a6ee0b2738e0782 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 137.17477 predictedDeepCCS 1.0 (2019) [M+H]+ 139.46019 predictedDeepCCS 1.0 (2019) [M+Na]+ 148.49716 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 03:04 / Updated at February 21, 2021 18:54