Lapyrium chlorideProduct ingredient for Lapyrium

Show full entry for Lapyrium
Name
Lapyrium chloride
Drug Entry
Lapyrium

Lapyrium is a quaternary ammonium cation used as a surfactant, antistatic agent, and biocide in various cosmetic products 1. It is commonly found formulated as lapyrium chloride.

See full entry for Lapyrium
Accession Number
DBSALT002416
Structure
Similar Structures
Synonyms
N-(lauroylcolaminoformylmethyl)pyridinium chloride
External IDs
E-607 / EMCOL E-607
UNII
732T8851QH
CAS Number
6272-74-8
Weight
Average: 398.97
Monoisotopic: 398.2336207
Chemical Formula
C21H35ClN2O3
InChI Key
HPKFFZSXDWPVLX-UHFFFAOYSA-N
InChI
InChI=1S/C21H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23;/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3;1H
IUPAC Name
1-({[2-(dodecanoyloxy)ethyl]carbamoyl}methyl)pyridin-1-ium chloride
SMILES
[Cl-].CCCCCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1
ChemSpider
21240
ChEMBL
CHEMBL1201787
Wikipedia
Lapyrium
Predicted Properties
PropertyValueSource
Water Solubility0.000103 mg/mLALOGPS
logP1.06ALOGPS
logP0.16Chemaxon
logS-6.6ALOGPS
pKa (Strongest Acidic)12.73Chemaxon
pKa (Strongest Basic)-6.5Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area59.28 Å2Chemaxon
Rotatable Bond Count16Chemaxon
Refractivity104.34 m3·mol-1Chemaxon
Polarizability43.95 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon