1-amino-2-bromo-4-hydroxyanthracene-9,10-dione (CED0144572)

Record Information
Version1.0
Creation Date2026-08-19 08:17:24 UTC
Update Date2026-08-19 08:17:24 UTC
Accession NumberCHEM181903
Identification
Common Name1-amino-2-bromo-4-hydroxyanthracene-9,10-dione
ClassSmall Molecule
Description
1-amino-2-bromo-4-hydroxyanthracene-9,10-dione is an organic compound with the formula C14H8BrNO3 and an average molecular weight of 318.12 g/mol. 1-amino-2-bromo-4-hydroxyanthracene-9,10-dione belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. It is further classified as part of the benzenoids superclass. This substance has been identified in two recorded sources, specifically within household cleaning and consumer products, including soap detergents and perfumes used within detergents and soaps.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H8BrNO3
Average Molecular Mass318.120 g/mol
Monoisotopic Mass316.969 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C14H8BrNO3/c15-8-5-9(17)10-11(12(8)16)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2
InChI KeyMSSQDESMUMSQEN-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
2316.0Log mg/kg[1300:4100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
645Inorganic FibresTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
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)11.4438
Click to view 3D structureFemale germline-specific tumor suppressor gld-1Q17339Caenorhabditis elegansPredicted (SEA)0.0778492
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)24.4447
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)6.30579
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)7.47353
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)22.3427
Click to view 3D structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)7.62922
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)8.87481
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)8.71911
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)25.8459
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)10.5096
Casein kinase I isoform delta structureClick to view 3D structureCasein kinase I isoform deltaP48730HumansPredicted (SEA)206.378
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)227.787
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)21.5642
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)151.495
Click to view 3D structureP2Y purinoceptor 6Q63371Rattus norvegicusPredicted (SEA)6.22794
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)62.5908
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)5.13805
Protein S100-A4 structureClick to view 3D structureProtein S100-A4P26447HumansPredicted (SEA)0.934191
Tyrosyl-DNA phosphodiesterase 2 structureClick to view 3D structureTyrosyl-DNA phosphodiesterase 2O95551HumansPredicted (SEA)2.72472
Thiosulfate sulfurtransferase structureClick to view 3D structureThiosulfate sulfurtransferaseQ16762HumansPredicted (SEA)0.311397
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)35.11
Receptor-type tyrosine-protein phosphatase C structureClick to view 3D structureReceptor-type tyrosine-protein phosphatase CP08575HumansPredicted (SEA)4.35956
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)135.302
Cysteine protease ATG4B structureClick to view 3D structureCysteine protease ATG4BQ9Y4P1HumansPredicted (SEA)8.87481
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available