Estrogens, conjugated (CED0002317)

Record Information
Version1.0
Creation Date2026-04-05 17:23:42 UTC
Update Date2026-04-13 20:30:32 UTC
Accession NumberCHEM104757
Identification
Common NameEstrogens, conjugated
ClassSmall Molecule
Description
Estrogens, conjugated belongs to the sulfated steroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the chemical formula C18H19NaO5S and is classified within the superclass of lipids and lipid-like molecules. It is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products (Estrogens). Recorded exposure routes for this compound include intramuscular, intravenous, oral, topical, and vaginal administration. In terms of biological activity, it has two recorded protein targets, acting as an agonist of Estrogen receptor (ESR1) and Estrogen receptor beta (ESR2).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC18H19NaO5S
Average Molecular MassNot Available
Monoisotopic Mass370.085 g/mol
CAS Registry Number12126-59-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1
InChI KeyQTTMOCOWZLSYSV-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
2165.0Log mg/kg[1200:3800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
319EstrogensHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
1 pathway
Conjugated estrogens Drug Metabolism Action Pathway
Conjugated estrogens Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Steryl-sulfatase structureClick to view 3D structureSteryl-sulfataseP08842HumansPredicted (SEA)3.19182
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)350.711
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)109.067
Click to view 3D structureSulfotransferase 1E1P19217Bos taurusPredicted (SEA)5.3716
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)442.184
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)166.597
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)537.237
Click to view 3D structureSolute carrier organic anion transporter family member 1A1P46720Rattus norvegicusPredicted (SEA)10.8989
17-beta-hydroxysteroid dehydrogenase type 1 structureClick to view 3D structure17-beta-hydroxysteroid dehydrogenase type 1P14061HumansPredicted (SEA)46.476
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)64.7706
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)30.3612
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)215.954
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)27.0137
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)1654.37
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)476.515
Click to view 3D structureOrganic anion transporter 3Q9R1U7Rattus norvegicusPredicted (SEA)0.856341
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)2653.26
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)504.697
Multidrug resistance-associated protein 1 structureClick to view 3D structureMultidrug resistance-associated protein 1P33527HumansPredicted (SEA)279.323
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)37.0562
Click to view 3D structureGlucose-6-phosphate 1-dehydrogenaseQ9GRG7Trypanosoma bruceiPredicted (SEA)17.2825
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)237.44
Click to view 3D structureAcetylcholinesteraseP36196Gallus gallusPredicted (SEA)19.8516
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)1477.5
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansPredicted (SEA)346.04
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available