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CHEBI:41688 - crystal violet

Default Structure
ChEBI IDCHEBI:41688
ChEBI Namecrystal violet
Stars
DefinitionAn organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.
Secondary ChEBI IDCHEBI:3933
Last Modified31 January 2014
DownloadsMolfile
FormulaC25H30N3.Cl
Net Charge0
Average Mass407.989
Monoisotopic Mass407.21283
SMILESCN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-]
InChIInChI=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
InChIKeyZXJXZNDDNMQXFV-UHFFFAOYSA-M
Wikipedia
Roles Classification
Biological Roles:
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
Applications:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antiseptic drug  A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body).
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
ChEBI Ontology
Outgoing Relation(s)
crystal violet (CHEBI:41688) has part crystal violet cation (CHEBI:77181)
crystal violet (CHEBI:41688) has role anthelminthic drug (CHEBI:35443)
crystal violet (CHEBI:41688) has role anti-HIV agent (CHEBI:64946)
crystal violet (CHEBI:41688) has role antibacterial agent (CHEBI:33282)
crystal violet (CHEBI:41688) has role antifungal agent (CHEBI:35718)
crystal violet (CHEBI:41688) has role antifungal drug (CHEBI:86327)
crystal violet (CHEBI:41688) has role antiseptic drug (CHEBI:48218)
crystal violet (CHEBI:41688) has role histological dye (CHEBI:77178)
crystal violet (CHEBI:41688) is a organic chloride salt (CHEBI:36094)
IUPAC Name 
4-{bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride
INNs  Source
chlorure de méthylrosaniliniumWHO MedNet
cloruro de metilrosanilinaWHO MedNet
methylrosanilinii chloridumWHO MedNet
methylrosanilinium chlorideWHO MedNet
Synonyms  Source
(4-{bis[-(dimethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)dimethylammonium chlorideChemIDplus
aniline violetChemIDplus
Basic violet 1ChEMBL
Basic Violet 3ChemIDplus
Basic Violet BNChemIDplus
Bismuth VioletChemIDplus
Brand Names  Source
AdergonChemIDplus
AtmonilChemIDplus
AverminChemIDplus
AxurisChemIDplus
BadilChemIDplus
GenapaxChEMBL
Manual XrefsDatabases
Crystal_violetWikipedia
CVIPDBeChem
D01046KEGG DRUG
DB00406DrugBank
HMDB0014550HMDB
Registry NumbersSources
Reaxys:3580948Reaxys
CAS:548-62-9ChemIDplus
Citations