Gentian violetProduct ingredient for Gentian violet cation
- 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
Structure for Gentian violet (DBSALT000604)
- 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
- External Links
- Human Metabolome Database
- HMDB14550
- KEGG Drug
- D01046
- PubChem Compound
- 11057
- ChemSpider
- 10588
- ChEBI
- 41688
- ChEMBL
- CHEMBL64894
- PDBe Ligand
- CVI
- Wikipedia
- Crystal_violet
- Predicted Properties
Property Value Source Water Solubility 0.00226 mg/mL ALOGPS logP 0.27 ALOGPS logP 1.4 Chemaxon logS -5.3 ALOGPS pKa (Strongest Basic) 4.83 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 9.49 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 146 m3·mol-1 Chemaxon Polarizability 45.45 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon