Name
Gentian violet
Drug Entry
Gentian violet cation

A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.

Accession Number
DBSALT000604
Structure
Thumb
Synonyms
Basic Violet 3 / Crystal violet / Gentian violet chloride / GVS / Hexamethyl pararosaniline chloride / hexamethyl-p-rosaniline chloride / hexamethylpararosaniline chloride / Methylrosaniline chloride / Methylrosanilinii chloridum / Methylrosanilinium chloride / Violeta de genciana
UNII
J4Z741D6O5
CAS Number
548-62-9
Weight
Average: 407.979
Monoisotopic: 407.212825682
Chemical Formula
C25H30ClN3
InChI Key
ZXJXZNDDNMQXFV-UHFFFAOYSA-M
InChI
InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
IUPAC Name
4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride
SMILES
[Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C
Human Metabolome Database
HMDB14550
KEGG Drug
D01046
PubChem Compound
11057
ChemSpider
10588
ChEBI
41688
ChEMBL
CHEMBL64894
PDBe Ligand
CVI
Wikipedia
Crystal_violet
Predicted Properties
PropertyValueSource
Water Solubility0.00226 mg/mLALOGPS
logP0.27ALOGPS
logP1.4ChemAxon
logS-5.3ALOGPS
pKa (Strongest Basic)4.83ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.49 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity146 m3·mol-1ChemAxon
Polarizability45.45 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon