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Bunaftine

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

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Identification

Generic Name
Bunaftine
DrugBank Accession Number
DB13652
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 326.484
Monoisotopic: 326.235813594
Chemical Formula
C21H30N2O
Synonyms
  • Bunaftine
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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
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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
AcebutololAcebutolol may increase the arrhythmogenic activities of Bunaftine.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of Bunaftine.
AcrivastineThe risk or severity of QTc prolongation can be increased when Acrivastine is combined with Bunaftine.
AdenosineAdenosine may increase the arrhythmogenic activities of Bunaftine.
AjmalineAjmaline may increase the arrhythmogenic activities of Bunaftine.
Food Interactions
Not Available

Categories

ATC Codes
C01BD03 — Bunaftine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Naphthalenecarboxylic acids and derivatives
Direct Parent
Naphthalenecarboxamides
Alternative Parents
Tertiary carboxylic acid amides / Trialkylamines / Amino acids and derivatives / Organopnictogen compounds / Organooxygen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
1-naphthalenecarboxamide / Amine / Amino acid or derivatives / Aromatic homopolycyclic compound / Carboxamide group / Carboxylic acid derivative / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
GH09PRQ3FU
CAS number
32421-46-8
InChI Key
WWGZXRYELYWJBD-UHFFFAOYSA-N
InChI
InChI=1S/C21H30N2O/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20/h8-14H,4-7,15-17H2,1-3H3
IUPAC Name
N-butyl-N-[2-(diethylamino)ethyl]naphthalene-1-carboxamide
SMILES
CCCCN(CCN(CC)CC)C(=O)C1=C2C=CC=CC2=CC=C1

References

General References
Not Available
ChemSpider
33233
ChEBI
135392
ChEMBL
CHEMBL2104200
ZINC
ZINC000002010639
Wikipedia
Bunaftine

Clinical Trials

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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 Solubility0.0147 mg/mLALOGPS
logP4.84ALOGPS
logP4.32Chemaxon
logS-4.4ALOGPS
pKa (Strongest Basic)9.01Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area23.55 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity102.77 m3·mol-1Chemaxon
Polarizability38.91 Å3Chemaxon
Number of Rings2Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4r-9640000000-4e3cc0a6d4676643dce4
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0439000000-05d0a2c6de8e3f21466d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1119000000-e03874c651f04bbf38ec
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zfr-4900000000-0d9ec2e302c7448ffdf0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00b9-9421000000-5597070dc785835febe0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-1900000000-af21ea68e5f7b98fd62a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-002b-7900000000-ffcec2a06a8e6cade564
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]-182.96753
predicted
DeepCCS 1.0 (2019)
[M+H]+185.32552
predicted
DeepCCS 1.0 (2019)
[M+Na]+191.55544
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54