[7-Hydroxy-8-[(2-methoxyphenyl)azo]-2-naphthyl]trimethylammonium chloride (CED0095627)

Record Information
Version1.0
Creation Date2026-04-05 07:01:39 UTC
Update Date2026-04-17 18:30:22 UTC
Accession NumberCHEM095528
Identification
Common Name[7-Hydroxy-8-[(2-methoxyphenyl)azo]-2-naphthyl]trimethylammonium chloride
ClassSmall Molecule
Description
[7-Hydroxy-8-[(2-methoxyphenyl)azo]-2-naphthyl]trimethylammonium chloride belongs to the naphthalenes, a class of benzenoids within the organic compounds. This compound has the chemical formula C20H22N3O2 and an average molecular weight of 371.87 g/mol. It is utilized as an industrial dye.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H22N3O2
Average Molecular Mass371.870 g/mol
Monoisotopic Mass336.171 g/mol
CAS Registry Number68391-30-0
IUPAC NameNot Available
Traditional NameNot Available
SMILES[Cl-].COC1=CC=CC=C1N=NC1=C(O)C=CC2=CC=C(C=C12)[N+](C)(C)C
InChI IdentifierInChI=1/C20H21N3O2.ClH/c1-23(2,3)15-11-9-14-10-12-18(24)20(16(14)13-15)22-21-17-7-5-6-8-19(17)25-4;/h5-13H,1-4H3;1H
InChI KeyHSWXSHNPRUMJKI-UHFFFAOYSA-N
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 Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
3947.0Log mg/kg[2200:7000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
633Azo DyesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)118.409
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)68.0402
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)79.6398
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)813.369
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)940.107
Krueppel-like factor 5 structureClick to view 3D structureKrueppel-like factor 5Q13887HumansPredicted (SEA)113.816
Click to view 3D structureLarge T antigenP03070Simian virus 40Predicted (SEA)92.8741
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)660.862
Orexin/Hypocretin receptor type 1 structureClick to view 3D structureOrexin/Hypocretin receptor type 1O43613HumansPredicted (SEA)191.198
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)362.466
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)1217.02
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)917.297
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)1478.51
Click to view 3D structureTrans-cinnamate 4-monooxygenaseQ04468Helianthus tuberosusPredicted (SEA)23.8997
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)937.227
Beta-glucuronidase structureClick to view 3D structureBeta-glucuronidaseP08236HumansPredicted (SEA)46.7095
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)2035.6
Click to view 3D structureBifunctional protein GlmUC3SLB7Escherichia coliPredicted (SEA)155.231
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)5132.13
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)211.906
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)3820.22
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)4167.11
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)782.93
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)774.6
Transcription factor EB structureClick to view 3D structureTranscription factor EBP19484HumansPredicted (SEA)61.3452
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available