benzalkonium – Benzalkonium

Name
WID benzalkonium View in model
Name Benzalkonium View in model
Traditional name benzyldimethyltridecylazanium
IUPAC name benzyldimethyltridecylazanium
Cross references ChEBI: 545858, PubChem: 87249495, KEGG: C08037
 
Classification
Type antibiotic View in model
 
Structure
Empirical formula (pH 7.5) H40C22N1
SMILES (pH 7.5) CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
Charge (pH 7.5) 1
Is hydrophobic False View in model
Molecular weight (Da) 318.56 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
371.42
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 0.0
logP 3.08
logD (pH 7.5) 3.08
 
Function
Reaction participant drug efflux (benzalkonium) via sodium antiport
benzalkonium[c] + NA[e] ⇒ benzalkonium[e] + NA[c]
View in model
 
Metadata
Created 2012-10-01 15:06:51
Last updated 2012-10-01 15:11:55