Disodium 7-[(4-amino-3-methoxyphenyl)azo]naphthalene-1,3-disulphonate (CED0190720)

Record Information
Version1.0
Creation Date2026-04-05 03:15:14 UTC
Update Date2026-04-05 03:15:14 UTC
Accession NumberCHEM091121
Identification
Common NameDisodium 7-[(4-amino-3-methoxyphenyl)azo]naphthalene-1,3-disulphonate
ClassSmall Molecule
Description
Disodium 7-[(4-amino-3-methoxyphenyl)azo]naphthalene-1,3-disulphonate is an organic compound with the chemical formula C17H15N3O7S2 and an average molecular weight of 481.40 g/mol. Disodium 7-[(4-amino-3-methoxyphenyl)azo]naphthalene-1,3-disulphonate belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. This compound has been identified in or released from 19 recorded sources across several sectors. Within aquatic systems and sediments, it is found in groundwater, surface water, seawater, and freshwater. In the sector of drinking water and water supply, it appears in drinking water, tap water, bottled water, and desalinated water. It is also present in wastewater, sanitation, and biosolids, specifically within industrial wastewater, mine wastewater, unspecified wastewater, and wastewater treatment effluent. Additionally, the compound is associated with appliances, HVAC, and refrigerants, including water heaters and water coolers, as well as marine, shipping, and aquaculture sources such as bilge water and ballast water. It has also been detected in irrigation water used in agriculture and land management, along with two other sectors. Recorded exposure routes for this substance include oral, inhalation, and touch.
Contaminant Type
  • PMT
Chemical Structure
SynonymsNot Available
Chemical FormulaC17H15N3O7S2
Average Molecular Mass481.400 g/mol
Monoisotopic Mass437.035 g/mol
CAS Registry Number65151-26-0
IUPAC NameNot Available
Traditional NameNot Available
SMILES[Na+].[Na+].COC1=C(N)C=CC(=C1)N=NC1=CC=C2C=C(C=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O
InChI IdentifierInChI=1/C17H15N3O7S2.2Na/c1-27-16-8-12(4-5-15(16)18)20-19-11-3-2-10-6-13(28(21,22)23)9-17(14(10)7-11)29(24,25)26;;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
InChI KeyQRSFZPZKWSGHRQ-UHFFFAOYSA-L
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
5589.0Log mg/kg[3100:9900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
3Irrigation waterAgriculture & land managementNot Available
27Water CoolersAppliances, HVAC & refrigerantsNot Available
43Water heatersAppliances, HVAC & refrigerantsNot Available
50GroundwaterAquatic systems & sedimentsNot Available
51Surface waterAquatic systems & sedimentsNot Available
52SeawaterAquatic systems & sedimentsNot Available
53FreshwaterAquatic systems & sedimentsNot Available
70Stormwater runoffAutomotive & urban infrastructureNot Available
88Waterproofing spraysBuilding & ConstructionNot Available
115Drinking waterDrinking water & water supplyNot Available
116Tap waterDrinking water & water supplyNot Available
117Bottled waterDrinking water & water supplyNot Available
118Desalinated waterDrinking water & water supplyNot Available
181Ballast waterMarine, shipping & aquacultureNot Available
182Bilge waterMarine, shipping & aquacultureNot Available
468Industrial wastewaterWastewater, sanitation & biosolidsNot Available
470Wastewater treatment effluentWastewater, sanitation & biosolidsNot Available
475Mine wastewaterWastewater, sanitation & biosolidsNot Available
477Wastewater, unspecifiedWastewater, sanitation & biosolidsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sentrin-specific protease 2 structureClick to view 3D structureSentrin-specific protease 2Q9HC62HumansPredicted (SEA)0.856341
Click to view 3D structureTransitional endoplasmic reticulum ATPaseQ01853Mus musculusPredicted (SEA)0.778492
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)47.4102
Click to view 3D structureSentrin-specific protease 3Q9H4L4HumansPredicted (SEA)0.622794
Lymphotoxin-alpha structureClick to view 3D structureLymphotoxin-alphaP01374HumansPredicted (SEA)0.311397
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)529.686
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)17.5161
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)180.065
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)559.191
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)495.9
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)61.423
Click to view 3D structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)37.6012
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)40.4816
Click to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)104.785
Dual specificity protein phosphatase 5 structureClick to view 3D structureDual specificity protein phosphatase 5Q16690HumansPredicted (SEA)0.467095
Click to view 3D structureTyrosine-protein phosphatase 1P25044Saccharomyces cerevisiae S288cPredicted (SEA)0.233548
Click to view 3D structurePROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)P96878Mycobacterium tuberculosisPredicted (SEA)118.642
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)168.31
Tyrosine-protein phosphatase non-receptor type 11 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 11Q06124HumansPredicted (SEA)224.984
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)44.1405
Sentrin-specific protease 1 structureClick to view 3D structureSentrin-specific protease 1Q9P0U3HumansPredicted (SEA)32.541
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)766.581
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)1326.78
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)625.83
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)604.733
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available