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