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Piroctone

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
Piroctone
DrugBank Accession Number
DB15946
Background

Piroctone olamine is used in combination with other substances as a part of shampoo effectively reduced the amount of dandruff and, at the same time, provided hair conditioning advantages. Recently was shown, that piroctone olamine could induce apoptosis and possessed a significant in vivo effect against myeloma.1

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 237.343
Monoisotopic: 237.172878985
Chemical Formula
C14H23NO2
Synonyms
  • Piroctona
  • Piroctone
  • Piroctonol
  • Piroctonum
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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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Piroctone olamineA4V5C6R9FB68890-66-4BTSZTGGZJQFALU-UHFFFAOYSA-N
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
FORTE Magnetic S3 Oil Control Anti-DandfuffLotion / shampoo0.4 g/500gTopicalFORMOSA BIOMEDICAL TECHNOLOGY CORPORATION2024-08-13Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
FORTE Magnetic S3 Oil Control Anti-DandfuffPiroctone olamine (0.4 g/500g)Lotion / shampooTopicalFORMOSA BIOMEDICAL TECHNOLOGY CORPORATION2024-08-13Not applicableUS flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
R49EFA73Q7
CAS number
50650-76-5
InChI Key
OIQJEQLSYJSNDS-UHFFFAOYSA-N
InChI
InChI=1S/C14H23NO2/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5/h6,8,11,17H,7,9H2,1-5H3
IUPAC Name
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-1,2-dihydropyridin-2-one
SMILES
CC(CC1=CC(C)=CC(=O)N1O)CC(C)(C)C

References

General References
  1. PIROCTONE: Inxight Drugs [Link]
ChemSpider
45575
RxNav
2058907
ChEBI
59009
ChEMBL
CHEMBL1473700

Clinical Trials

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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Lotion / shampooTopical0.4 g/500g
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.351 mg/mLALOGPS
logP3.77ALOGPS
logP3.19Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)6.87Chemaxon
pKa (Strongest Basic)-6.4Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area40.54 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity71.81 m3·mol-1Chemaxon
Polarizability27.69 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-5db3df249add4b858c88
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9530000000-916a4f68a3277eba14a9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a59-8920000000-260ccf59c805327457a3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05tr-1690000000-cbbd6afb8b5a631ea1dc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0629-6910000000-b56d07f5fca8123a4652
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-8910000000-c6a18ef124191e505edb
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]-158.28015
predicted
DeepCCS 1.0 (2019)
[M+H]+160.6757
predicted
DeepCCS 1.0 (2019)
[M+Na]+166.70082
predicted
DeepCCS 1.0 (2019)

Drug created at November 26, 2020 14:29 / Updated at May 22, 2021 06:08