Nikethamide

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

Identification

Summary

Nikethamide is a nicotinic acid derivative indicated as a respiratory stimulant.

Generic Name
Nikethamide
DrugBank Accession Number
DB13655
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 178.235
Monoisotopic: 178.110613079
Chemical Formula
C10H14N2O
Synonyms
  • Nikethamide

Pharmacology

Indication

Not Available

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Associated Therapies
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.
Not Available
Food Interactions
Not Available

Products

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Categories

ATC Codes
R07AB02 — NikethamideR07AB52 — Nikethamide, combinations
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Pyridinecarboxylic acids and derivatives
Direct Parent
Nicotinamides
Alternative Parents
Tertiary carboxylic acid amides / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Aromatic heteromonocyclic compound / Azacycle / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative / Nicotinamide / Organic nitrogen compound / Organic oxide / Organic oxygen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
368IVD6M32
CAS number
59-26-7
InChI Key
NCYVXEGFNDZQCU-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
IUPAC Name
N,N-diethylpyridine-3-carboxamide
SMILES
CCN(CC)C(=O)C1=CN=CC=C1

References

General References
  1. FDA Thailand Product Information: Corazol (nikethamide) oral drops [Link]
ChemSpider
5296
BindingDB
50248014
RxNav
7424
ChEBI
134814
ChEMBL
CHEMBL2104607
ZINC
ZINC000000001814
Wikipedia
Nikethamide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Solution250 mg/1ml
Suspension250 mg/1ml
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility109.0 mg/mLALOGPS
logP0.83ALOGPS
logP0.77Chemaxon
logS-0.21ALOGPS
pKa (Strongest Basic)3.61Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area33.2 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity52.27 m3·mol-1Chemaxon
Polarizability19.56 Å3Chemaxon
Number of Rings1Chemaxon
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
GC-MS Spectrum - EI-BGC-MSsplash10-0a6r-0900000000-c3bbf6b50c49f1db0682
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-0900000000-2a9fab19b1f3b111db54
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1900000000-ced7bb18bf78d5ddff33
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0900000000-a68ffd0027b777edd44b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-82b15f8e8de08362afa4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00or-9100000000-b50431f7e6b4b0d4bf3d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a59-9600000000-0cf28759e43aa3a30f9b
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]-145.5371213
predicted
DarkChem Lite v0.1.0
[M-H]-137.85211
predicted
DeepCCS 1.0 (2019)
[M+H]+146.4589213
predicted
DarkChem Lite v0.1.0
[M+H]+141.24446
predicted
DeepCCS 1.0 (2019)
[M+Na]+150.34694
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:46 / Updated at May 29, 2021 18:12