Piroctone olamineProduct ingredient for Piroctone

Show full entry for Piroctone
Name
Piroctone olamine
Drug Entry
Piroctone

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

See full entry for Piroctone
Accession Number
DBSALT003179
Structure
Similar Structures
Synonyms
Octopirox / Piroctone ethanolamine
UNII
A4V5C6R9FB
CAS Number
68890-66-4
Weight
Average: 298.427
Monoisotopic: 298.225642834
Chemical Formula
C16H30N2O3
InChI Key
BTSZTGGZJQFALU-UHFFFAOYSA-N
InChI
InChI=1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11,17H,7,9H2,1-5H3;4H,1-3H2
IUPAC Name
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-1,2-dihydropyridin-2-one; 2-aminoethan-1-ol
SMILES
NCCO.CC(CC1=CC(C)=CC(=O)N1O)CC(C)(C)C
ChemSpider
45574
ChEMBL
CHEMBL2107154
Wikipedia
Piroctone_olamine
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 Count5Chemaxon
Refractivity71.81 m3·mol-1Chemaxon
Polarizability27.69 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon