benzalkonium – Benzalkonium
| Name | ||
|---|---|---|
| WID | benzalkonium |
|
| Name | Benzalkonium |
|
| Traditional name | benzyldimethyltridecylazanium | |
| IUPAC name | benzyldimethyltridecylazanium | |
| Cross references | ChEBI: 545858, PubChem: 87249495, KEGG: C08037 | |
| Classification | ||
| Type | antibiotic |
|
| 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 |
|
| Molecular weight (Da) | 318.56 |
|
| 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] |
|
| Metadata | ||
| Created | 2012-10-01 15:06:51 | |
| Last updated | 2012-10-01 15:11:55 | |
