[8-[(4-Amino-3-nitrophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium chloride (CED0145379)

Record Information
Version1.0
Creation Date2026-04-05 06:44:06 UTC
Update Date2026-04-05 06:44:06 UTC
Accession NumberCHEM095121
Identification
Common Name[8-[(4-Amino-3-nitrophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium chloride
ClassSmall Molecule
Description
[8-[(4-Amino-3-nitrophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium chloride belongs to the naphthalenes, a class of benzenoids within the organic compounds. It has the chemical formula C19H21N5O3 and an average molecular weight of 401.85 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H21N5O3
Average Molecular Mass401.850 g/mol
Monoisotopic Mass367.164 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILES[Cl-].C[N+](C)(C)C1=CC2=C(C=CC(O)=C2N=NC2=CC=C(N)C(=C2)[N+]([O-])=O)C=C1
InChI IdentifierInChI=1/C19H19N5O3.ClH/c1-24(2,3)14-7-4-12-5-9-18(25)19(15(12)11-14)22-21-13-6-8-16(20)17(10-13)23(26)27;/h4-11H,1-3H3,(H2-,20,21,22,25);1H
InChI KeyCMPPYVDBIJWGCB-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
8634.0Log mg/kg[4900:15000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)494.732
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)298.863
Click to view 3D structureCatechol O-methyltransferaseP22734Rattus norvegicusPredicted (SEA)13.935
Click to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)117.474
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)364.646
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)99.8027
Click to view 3D structureATP phosphoribosyltransferaseP9WMN1Mycobacterium tuberculosisPredicted (SEA)5.76084
Sentrin-specific protease 2 structureClick to view 3D structureSentrin-specific protease 2Q9HC62HumansPredicted (SEA)16.0369
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)849.335
Click to view 3D structureCatechol O-methyltransferaseQ99028Sus scrofaPredicted (SEA)6.30579
Click to view 3D structureSentrin-specific protease 3Q9H4L4HumansPredicted (SEA)1.40129
Click to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)242.578
G-protein coupled receptor 35 structureClick to view 3D structureG-protein coupled receptor 35Q9HC97HumansPredicted (SEA)460.089
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)1729.19
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)2093.91
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)690.834
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)235.182
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)1917.97
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)1750.05
Click to view 3D structureLarge T antigenP03070Simian virus 40Predicted (SEA)215.175
Click to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)288.276
Tyrosine-protein phosphatase non-receptor type 11 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 11Q06124HumansPredicted (SEA)873.39
Alpha-ketoglutarate-dependent dioxygenase FTO structureClick to view 3D structureAlpha-ketoglutarate-dependent dioxygenase FTOQ9C0B1HumansPredicted (SEA)154.453
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)1878.97
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)1882.24
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available