NAV

Nepinalone

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

Identification

Summary

Nepinalone is an antitussive drug that acts primarily at the central nervous system (CNS). Nepinalone does not exert CNS depressant properties at antitussive doses.

Generic Name
Nepinalone
DrugBank Accession Number
DB13445
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 271.404
Monoisotopic: 271.193614429
Chemical Formula
C18H25NO
Synonyms
  • Nepinalone
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Symptomatic treatment ofCoughing••••••••••••
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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Product Ingredients
IngredientUNIICASInChI Key
Nepinalone hydrochloride68J256455O22443-55-6DWXUSWVHSCQVTM-UHFFFAOYSA-N

Categories

ATC Codes
R05DB26 — Nepinalone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Tetralins
Sub Class
Not Available
Direct Parent
Tetralins
Alternative Parents
Aralkylamines / Piperidines / Trialkylamines / Cyclic ketones / Azacyclic compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Carbonyl group / Cyclic ketone / Hydrocarbon derivative / Ketone / Organic nitrogen compound / Organic oxide
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
L9806LPR7G
CAS number
22443-11-4
InChI Key
RVXGRCNWGOHSDE-UHFFFAOYSA-N
InChI
InChI=1S/C18H25NO/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20/h3-4,7-8H,2,5-6,9-14H2,1H3
IUPAC Name
1-methyl-1-[2-(piperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-one
SMILES
CC1(CCN2CCCCC2)C(=O)CCC2=CC=CC=C12

References

General References
  1. AIFA Product Information: Nepituss (nepinalone hydrochloride) for oral use [Link]
ChemSpider
2310106
ChEBI
135121
ChEMBL
CHEMBL2105148
Wikipedia
Nepinalone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Solution / dropsOral1 %
SyrupOral0.1 %
Solution / dropsOral
SyrupOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0429 mg/mLALOGPS
logP4.17ALOGPS
logP3.91Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)19.18Chemaxon
pKa (Strongest Basic)8.98Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area20.31 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity83.66 m3·mol-1Chemaxon
Polarizability31.92 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0290000000-7ed150a586a6fbed894a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-ababa8fb2ba86019867f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6t-9660000000-905249e7195f07ef9d91
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0190000000-c3f4817dc5abef335a55
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-8950000000-53359867288b31079943
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-1930000000-fb5a8bbd83e92f102268
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]-163.01622
predicted
DeepCCS 1.0 (2019)
[M+H]+165.37422
predicted
DeepCCS 1.0 (2019)
[M+Na]+171.46738
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:42 / Updated at May 05, 2021 20:31