crystalViolet – Crystal violet

Name
WID crystalViolet View in model
Name Crystal violet View in model
Traditional name gentian violet
IUPAC name 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium
Cross references ChEBI: 604234, PubChem: 87324702, KEGG: D01046
 
Classification
Type antibiotic_phenylpropene View in model
 
Structure
Empirical formula (pH 7.5) H30C25N3
SMILES (pH 7.5) CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C
Charge (pH 7.5) 1
Is hydrophobic False View in model
Molecular weight (Da) 372.52 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
371.73
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) -217.60
logP 1.40
logD (pH 7.5) 1.39
 
Function
Reaction participant drug efflux (crystal violet) via sodium antiport
crystalViolet[c] + NA[e] ⇒ crystalViolet[e] + NA[c]
View in model
 
Metadata
Created 2012-10-01 15:06:52
Last updated 2012-10-01 15:11:58