Hydroxydimethylbenzenesulphonic acid (CED0000108)

Record Information
Version1.0
Creation Date2026-04-05 22:56:32 UTC
Update Date2026-04-05 22:56:32 UTC
Accession NumberCHEM111491
Identification
Common NameHydroxydimethylbenzenesulphonic acid
ClassSmall Molecule
Description
Hydroxydimethylbenzenesulphonic acid belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified under the superclass of benzenoids and has the chemical formula C8H10O4S.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H10O4S
Average Molecular MassNot Available
Monoisotopic Mass202.030 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C8H10O4S/c1-5-3-4-7(13(10,11)12)8(9)6(5)2/h3-4,9H,1-2H3,(H,10,11,12)
InChI KeyQMCLSDFMANMHLD-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
5557.0Log mg/kg[3100:9900]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 structureBeta-ketoacyl-ACP-synthase IIIO77078Plasmodium falciparumPredicted (SEA)6.46149
Click to view 3D structureChaperonin GroELP0A6F5Escherichia coli (strain K12)Predicted (SEA)15.1027
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)247.405
Metalloproteinase inhibitor 3 structureClick to view 3D structureMetalloproteinase inhibitor 3P35625HumansPredicted (SEA)34.7208
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)1736.19
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)623.961
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)1291.6
Click to view 3D structureLow molecular weight phosphotyrosine protein phosphataseQ9D358Mus musculusPredicted (SEA)8.17417
Click to view 3D structureLow molecular weight phosphotyrosine protein phosphataseP41498Rattus norvegicusPredicted (SEA)8.17417
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)1605.02
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)880.085
CREB-binding protein structureClick to view 3D structureCREB-binding proteinQ92793HumansPredicted (SEA)192.833
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)1609.61
Click to view 3D structureP2X purinoceptor 1P47824Rattus norvegicusPredicted (SEA)39.236
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)102.216
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)1126.87
P2X purinoceptor 3 structureClick to view 3D structureP2X purinoceptor 3P56373HumansPredicted (SEA)281.736
Click to view 3D structureInhibitor of growth protein 2Q9H160HumansPredicted (SEA)131.176
Dual specificity protein phosphatase 6 structureClick to view 3D structureDual specificity protein phosphatase 6Q16828HumansPredicted (SEA)1.47914
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)1565.55
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)2315.7
Click to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)322.841
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)309.84
Click to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)652.688
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)1190.16
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available