2-[4-[bis(2-hydroxyethyl)amino]anilino]-5-(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione (CED0264537)

Record Information
Version1.0
Creation Date2026-08-29 10:29:11 UTC
Update Date2026-08-29 10:29:11 UTC
Accession NumberCHEM309527
Identification
Common Name2-[4-[bis(2-hydroxyethyl)amino]anilino]-5-(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione
ClassSmall Molecule
Description
2-[4-[bis(2-hydroxyethyl)amino]anilino]-5-(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione is a chemical compound with the formula C18H23N3O5. It has an average molecular weight of 361.40 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC18H23N3O5
Average Molecular MassNot Available
Monoisotopic Mass361.164 g/mol
CAS Registry Number52136-25-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=CC(=CC=C1NC2=CC(=O)C(=CC2=O)NCCO)N(CCO)CCO
InChI IdentifierInChI=1S/C18H23N3O5/c22-8-5-19-15-11-18(26)16(12-17(15)25)20-13-1-3-14(4-2-13)21(6-9-23)7-10-24/h1-4,11-12,19-20,22-24H,5-10H2
InChI KeyBZYZOJIGZUACMS-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
2605.0Log mg/kg[1500:4600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
632ApparelTextiles, leather & furnishingsNot Available
696NanotechnologyIndustrial manufacturing & chemical processingNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)94.8982
Click to view 3D structureDynamin-2P39052Rattus norvegicusPredicted (SEA)0.155698
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)41.3379
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)905.153
Sentrin-specific protease 8 structureClick to view 3D structureSentrin-specific protease 8Q96LD8HumansPredicted (SEA)176.484
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)570.868
Click to view 3D structureBeta-glucuronidaseP12265Mus musculusPredicted (SEA)7.16213
Click to view 3D structureSentrin-specific protease 6Q9GZR1HumansPredicted (SEA)373.443
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)295.827
LIM domain kinase 1 structureClick to view 3D structureLIM domain kinase 1P53667HumansPredicted (SEA)3667.63
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)1257.81
Tyrosyl-DNA phosphodiesterase 2 structureClick to view 3D structureTyrosyl-DNA phosphodiesterase 2O95551HumansPredicted (SEA)139.35
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)4573.64
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)890.517
Large T antigen structureClick to view 3D structureLarge T antigenP03070Simian virus 40Predicted (SEA)265.855
Protein Tat structureClick to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)550.939
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)2905.57
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)2523.02
Rho-associated protein kinase 1 structureClick to view 3D structureRho-associated protein kinase 1Q13464HumansPredicted (SEA)5033.96
Click to view 3D structureGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonaseQ9BHT9Plasmodium bergheiPredicted (SEA)692.702
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)4416.62
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)4163.77
Click to view 3D structureHexokinase HKDC1Q2TB90HumansPredicted (SEA)548.292
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)3429.49
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)5553.06
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available