C.I. Disperse Blue 7 (CED0154166)

Record Information
Version1.0
Creation Date2026-04-02 22:43:09 UTC
Update Date2026-08-19 23:55:46 UTC
SynCED IDCED0154166
Secondary Accession Numbers
  • CHEM058787
Identification
Common NameC.I. Disperse Blue 7
ClassSmall Molecule
Description
C.I. Disperse Blue 7 is an organic compound with the formula C18H18N2O6 and an average molecular weight of 358.35 g/mol. C.I. Disperse Blue 7 belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. It is used industrially as a dye. This compound is recorded as being released from household cleaning and consumer products, specifically bleaching agents.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC18H18N2O6
Average Molecular Mass358.350 g/mol
Monoisotopic Mass358.116 g/mol
CAS Registry Number3179-90-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESOCCNC1=CC=C(NCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O
InChI IdentifierInChI=1S/C18H18N2O6/c21-7-5-19-9-1-2-10(20-6-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,19-24H,5-8H2
InChI KeyWHPNHQRWWMLKPJ-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2576.0 Log mg/kg [1400:4600]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000227Hair dyes?Hair dyes often contain a range of synthetic chemicals, including aromatic amines, resorcinol, and formaldehyde, which can pose environmental contamination risks.Personal care & cosmeticsPMC9214764
CEDs000490Personal care & cosmeticsNot Available
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.Textiles, leather & furnishingsPubChem
CEDs000641Foam Dyeing?Foam dyeing is a textile dyeing technique that utilizes a foaming agent to create a dye solution in a gaseous form, allowing for the application of dyes onto fabrics.Textiles, leather & furnishingsPubChem
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.462
Applicability Domain
0.813
Statistical Significance
8.60e-04
Supporting Reference Compounds
96
E-value
6.69503
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.421
Applicability Domain
0.813
Statistical Significance
2.90e-04
Supporting Reference Compounds
104
E-value
2.25763
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)
Prediction Confidence Score
0.409
Applicability Domain
0.788
Statistical Significance
0.0129
Supporting Reference Compounds
967
E-value
100.27
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.813
Statistical Significance
9.70e-04
Supporting Reference Compounds
49
E-value
7.55137
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.354
Applicability Domain
0.813
Statistical Significance
0.0532
Supporting Reference Compounds
1301
E-value
413.924
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.813
Statistical Significance
0.0467
Supporting Reference Compounds
798
E-value
363.478
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)
Prediction Confidence Score
0.349
Applicability Domain
0.813
Statistical Significance
0.0358
Supporting Reference Compounds
707
E-value
278.778
Click to view 3D structureBeta LactamaseQ932Y6Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.813
Statistical Significance
5.10e-04
Supporting Reference Compounds
91
E-value
3.97031
DNA topoisomerase 2-alpha structureClick to view 3D structureDNA topoisomerase 2-alphaP11388HumansPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.813
Statistical Significance
1.40e-04
Supporting Reference Compounds
27
E-value
1.08989
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.813
Statistical Significance
0.1038
Supporting Reference Compounds
1498
E-value
808.153
Proto-oncogene tyrosine-protein kinase ROS structureClick to view 3D structureProto-oncogene tyrosine-protein kinase ROSP08922HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.813
Statistical Significance
0.0374
Supporting Reference Compounds
430
E-value
291.078
Polyunsaturated fatty acid lipoxygenase ALOX15 structureClick to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.813
Statistical Significance
7.20e-04
Supporting Reference Compounds
47
E-value
5.60514
Broad substrate specificity ATP-binding cassette transporter ABCG2 structureClick to view 3D structureBroad substrate specificity ATP-binding cassette transporter ABCG2Q9UNQ0HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.813
Statistical Significance
0.0131
Supporting Reference Compounds
126
E-value
101.982
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.813
Statistical Significance
0.0249
Supporting Reference Compounds
451
E-value
194.0
ATP-dependent translocase ABCB1 structureClick to view 3D structureATP-dependent translocase ABCB1P08183HumansPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.813
Statistical Significance
0.0119
Supporting Reference Compounds
139
E-value
93.0298
Receptor tyrosine-protein kinase erbB-2 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-2P04626HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.813
Statistical Significance
0.0661
Supporting Reference Compounds
674
E-value
514.428
DNA repair nuclease/redox regulator APEX1 structureClick to view 3D structureDNA repair nuclease/redox regulator APEX1P27695HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.788
Statistical Significance
7.00e-05
Supporting Reference Compounds
21
E-value
0.544945
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.813
Statistical Significance
0.0573
Supporting Reference Compounds
823
E-value
446.154
Multidrug resistance-associated protein 1 structureClick to view 3D structureMultidrug resistance-associated protein 1P33527HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.813
Statistical Significance
0.0027
Supporting Reference Compounds
49
E-value
20.7079
Solute carrier organic anion transporter family member 1B3 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B3Q9NPD5HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.813
Statistical Significance
0.0019
Supporting Reference Compounds
51
E-value
15.1806
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.813
Statistical Significance
0.0308
Supporting Reference Compounds
373
E-value
240.009
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.813
Statistical Significance
0.0374
Supporting Reference Compounds
385
E-value
291.312
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.813
Statistical Significance
0.0318
Supporting Reference Compounds
297
E-value
247.483
Click to view 3D structureMultidrug and toxin extrusion protein 1Q96FL8HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.813
Statistical Significance
3.50e-04
Supporting Reference Compounds
35
E-value
2.72472
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.344
Statistical Significance
0.1749
Supporting Reference Compounds
1017
E-value
1361.66
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available