Acid Violet 9 (CED0000671)

Record Information
Version1.0
Creation Date2026-04-02 22:37:13 UTC
Update Date2026-05-20 17:14:46 UTC
Accession NumberCHEM058731
Identification
Common NameAcid Violet 9
ClassSmall Molecule
Description
Acid Violet 9 is an industrial dye with the chemical formula C34H26N2O6S1. With an average molecular weight of 612.63 g/mol, Acid Violet 9 is a heavy molecule. Acid Violet 9 belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. It is further classified as an organoheterocyclic compound.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC34H26N2O6S1
Average Molecular Mass612.630 g/mol
Monoisotopic Mass590.151 g/mol
CAS Registry Number6252-76-2
IUPAC NameNot Available
Traditional NameNot Available
SMILES[Na+].CC1=CC=CC=C1NC1=CC2=[O+]C3=C(C=CC(NC4=C(C)C=C(C=C4)S([O-])(=O)=O)=C3)C(C3=CC=CC=C3C([O-])=O)=C2C=C1
InChI IdentifierInChI=1S/C34H26N2O6S.Na/c1-20-7-3-6-10-29(20)35-22-11-14-27-31(18-22)42-32-19-23(36-30-16-13-24(17-21(30)2)43(39,40)41)12-15-28(32)33(27)25-8-4-5-9-26(25)34(37)38;/h3-19,35-36H,1-2H3,(H-,37,38,39,40,41);/q;+1/p-1
InChI KeyUWMZZSRDUVJJDP-UHFFFAOYSA-M
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
490Personal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)9.41976
Click to view 3D structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)11.2103
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)14.0129
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)11.4438
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)10.5875
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)37.6012
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)17.5161
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)48.1887
Click to view 3D structureP2Y purinoceptor 6Q63371Rattus norvegicusPredicted (SEA)8.64126
Click to view 3D structureNucleoside triphosphate diphosphohydrolase 3A6I415Rattus norvegicusPredicted (SEA)1.16774
Click to view 3D structureP2X purinoceptor 1P47824Rattus norvegicusPredicted (SEA)12.4559
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)165.741
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)134.991
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)642.49
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)514.661
Click to view 3D structureP2Y purinoceptor 2P35383Mus musculusPredicted (SEA)1.08989
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)92.2513
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)161.459
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)2429.99
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)709.751
Click to view 3D structureHexokinase HKDC1Q2TB90HumansPredicted (SEA)82.2088
Tyrosyl-DNA phosphodiesterase 2 structureClick to view 3D structureTyrosyl-DNA phosphodiesterase 2O95551HumansPredicted (SEA)38.3018
Signal transducer and activator of transcription 5A structureClick to view 3D structureSignal transducer and activator of transcription 5AP42229HumansPredicted (SEA)8.87481
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)1440.52
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)1177.86
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available