Sodium 9,10-dihydro-3,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate monohydrate (CED0174030)

Record Information
Version1.0
Creation Date2026-04-04 18:44:09 UTC
Update Date2026-08-19 08:26:51 UTC
Accession NumberCHEM078030
Identification
Common NameSodium 9,10-dihydro-3,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate monohydrate
ClassSmall Molecule
Description
Sodium 9,10-dihydro-3,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate monohydrate is an organic compound with the formula C14H8O7S and an average molecular weight of 342.25 g/mol. Sodium 9,10-dihydro-3,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate monohydrate belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. This substance is associated with five recorded sources across three primary categories. In the sector of electrical and electronic equipment, it is found in or released from electrodes, hybrid capacitors, and television systems. Additionally, it is linked to food, food processing and cookware, specifically regarding food preservation. Within household cleaning and consumer products, the compound is identified in bleaching agents.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC14H8O7S
Average Molecular Mass342.250 g/mol
Monoisotopic Mass319.999 g/mol
CAS Registry Number83-61-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C14H8O7S.Na.H2O/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18;;/h1-5,17-18H,(H,19,20,21);;1H2/q;+1;/p-1
InChI KeyRXCPGWSCILFWCH-UHFFFAOYSA-M
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
6454.0Log mg/kg[3600:11000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
519ElectrodesElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
545Food PreservationFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, 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)50.4463
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)10.1982
Pyruvate kinase PKLR structureClick to view 3D structurePyruvate kinase PKLRP30613HumansPredicted (SEA)0.0778492
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)9.41976
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)13.5458
P2X purinoceptor 4 structureClick to view 3D structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)11.2103
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)73.9568
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)9.809
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)32.3853
Female germline-specific tumor suppressor gld-1 structureClick to view 3D structureFemale germline-specific tumor suppressor gld-1Q17339Caenorhabditis elegansPredicted (SEA)0.778492
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)14.2464
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)42.1943
Click to view 3D structureP2Y purinoceptor 6Q63371Rattus norvegicusPredicted (SEA)7.70707
Phosphoglycerate mutase 1 structureClick to view 3D structurePhosphoglycerate mutase 1P18669HumansPredicted (SEA)0.544945
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)1040.77
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)89.9158
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)419.685
Protein S100-A4 structureClick to view 3D structureProtein S100-A4P26447HumansPredicted (SEA)3.42537
Cysteine protease ATG4B structureClick to view 3D structureCysteine protease ATG4BQ9Y4P1HumansPredicted (SEA)20.4743
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)63.2914
Receptor-type tyrosine-protein phosphatase C structureClick to view 3D structureReceptor-type tyrosine-protein phosphatase CP08575HumansPredicted (SEA)9.34191
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)57.9977
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)417.116
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)29.1156
Death-associated protein kinase 1 structureClick to view 3D structureDeath-associated protein kinase 1P53355HumansPredicted (SEA)209.337
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available