Thonzonium bromideProduct ingredient for Thonzonium

Name
Thonzonium bromide
Drug Entry
Thonzonium

Thonzonium is a monocationic surface-active agent with surfactant and detergent properties. It is widely used as an additive to in ear and nasal drops to enhance dispersion and penetration of cellular debris and exudate, thereby promoting tissue contact of the administered medication. A common pharmaceutical formulation of thonzonium bromide is cortisporin-TC ear drops. It is also reported that thonzonium also confers an antifungal property and antiresorptive effect on bone.

Accession Number
DBSALT002554
Structure
Synonyms
Tonzonium bromide
UNII
JI2B19CR0R
CAS Number
553-08-2
Weight
Average: 591.723
Monoisotopic: 590.355925
Chemical Formula
C32H55BrN4O
InChI Key
WBWDWFZTSDZAIG-UHFFFAOYSA-M
InChI
InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1
IUPAC Name
hexadecyl(2-{[(4-methoxyphenyl)methyl](pyrimidin-2-yl)amino}ethyl)dimethylazanium bromide
SMILES
[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(OC)C=C1)C1=NC=CC=N1
ChemSpider
10631
ChEMBL
CHEMBL1200883
Wikipedia
Thonzonium_bromide
Predicted Properties
PropertyValueSource
Water Solubility2.13e-05 mg/mLALOGPS
logP3.53ALOGPS
logP4.92Chemaxon
logS-7.4ALOGPS
pKa (Strongest Basic)3.12Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area38.25 Å2Chemaxon
Rotatable Bond Count22Chemaxon
Refractivity171.19 m3·mol-1Chemaxon
Polarizability66.03 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon