CVI

CRYSTAL VIOLET

Created:	2001-09-12
Last modified:	2011-06-04

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5 entries where CVI is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	58
Chiral Atom Count	0
Bond Count	60
Aromatic Bond Count	12

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Chemical Component Summary
Name	CRYSTAL VIOLET
Systematic Name (OpenEye OEToolkits)	[4-[bis(4-dimethylaminophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-dimethyl-azanium
Formula	C₂₅ H₃₀ N₃
Molecular Weight	372.526
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	C(=C1/C=C\C(=[N+](/C)C)C=C1)(\c2ccc(N(C)C)cc2)c3ccc(N(C)C)cc3
SMILES	CACTVS	3.341	CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)=C3C=CC(C=C3)=[N+](C)C
SMILES	OpenEye OEToolkits	1.5.0	CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C
Canonical SMILES	CACTVS	3.341	CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)=C3C=CC(C=C3)=[N+](C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C
InChI	InChI	1.03	InChI=1S/C25H30N3/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/q+1
InChIKey	InChI	1.03	LGLFFNDHMLKUMI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00406
Name	Gentian violet cation
Groups	approved
Description	A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.
Synonyms	Gentian violet(1+) Gentian violet cation Crystal violet carbocation Crystal Violet Methylrosaniline Crystal violet ion(1) Gentian violet carbocation Crystal violet(1+) Methylrosanilinium Gentian violet
Brand Names	Gentian Violet Gentian Violet Anti-Infective El Valle Gentian Violet De LA Cruz Gentian Violet Kerr 100 Triple Dye Dispos-A Gentian Violet 2% Humco Gentian Violet 1% Gentiane Violet Liq Top Humco Gentian Violet 2% Perineze Triple Dye GNP Gentian Violet 1% Triple Dye Gentian Violet Topical Solution Gentian Violet 1%
Indication	For the treatment of bacterial and fungal infections inside the mouth (thrush) and skin, also for the prevention of transmission of Chagas' disease (as a blood additive).
Categories	Amines Aniline Compounds Anti-Infective Agents Anti-Infective Agents, Local Antifungals for Dermatological Use Antifungals for Topical Use Dermatologicals Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Miscellaneous Antifungals
ATC-Code	G01AX09 D01AE02
CAS number	7438-46-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
DNA	-	unknown	intercalation
Solute carrier family 22 member 1	MPTVDDILEQVGESGWFQKQAFLILCLLSAAFAPICVGIVFLGFTPDHHC...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682