1-Amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, sodium salt (CED0073539)

Record Information
Version1.0
Creation Date2026-04-05 21:59:52 UTC
Update Date2026-04-05 21:59:52 UTC
Accession NumberCHEM110329
Identification
Common Name1-Amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, sodium salt
ClassSmall Molecule
Description
1-Amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, sodium salt belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. It is categorized under the superclass of benzenoids and has the chemical formula C20H15N3O8S2.xNa.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H15N3O8S2.xNa
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C20H15N3O8S2.2Na/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25;;/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2/rC20H13N3Na2O8S2/c21-12-6-5-9(7-14(12)34(28,29)32-24)23-13-8-15(35(30,31)33-25)18(22)17-16(13)19(26)10-3-1-2-4-11(10)20(17)27/h1-8,23H,21-22H2
InChI KeyGUCIZQSDEMEOAP-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
8375.0Log mg/kg[4700:15000]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
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)1.16774
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)3.42537
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)4.98235
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)1.16774
Click to view 3D structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)1.47914
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)1.40129
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)3.81461
Click to view 3D structureP2Y purinoceptor 6Q63371Rattus norvegicusPredicted (SEA)2.88042
Click to view 3D structureP2X purinoceptor 1P47824Rattus norvegicusPredicted (SEA)1.08989
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)8.87481
Click to view 3D structureNucleoside triphosphate diphosphohydrolase 3A6I415Rattus norvegicusPredicted (SEA)0.934191
Click to view 3D structureP2Y purinoceptor 2P35383Mus musculusPredicted (SEA)0.856341
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)293.414
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)113.971
Choline O-acetyltransferase structureClick to view 3D structureCholine O-acetyltransferaseP28329HumansPredicted (SEA)0.778492
DNA repair nuclease/redox regulator APEX1 structureClick to view 3D structureDNA repair nuclease/redox regulator APEX1P27695HumansPredicted (SEA)0.856341
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)1038.82
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)160.914
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)268.813
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)48.1887
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)294.815
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)74.346
Casein kinase I isoform delta structureClick to view 3D structureCasein kinase I isoform deltaP48730HumansPredicted (SEA)1207.44
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)1361.43
Click to view 3D structureP2X purinoceptor 2Q9UBL9HumansPredicted (SEA)50.057
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available