3-Alpha-hydroxydesogestrel (CED0062031)

Record Information
Version1.0
Creation Date2026-04-06 09:30:36 UTC
Update Date2026-05-21 10:23:44 UTC
Accession NumberCHEM121685
Identification
Common Name3-Alpha-hydroxydesogestrel
ClassSmall Molecule
Description
3-Alpha-hydroxydesogestrel belongs to the estrane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound is categorized under the superclass of lipids and lipid-like molecules. It has been identified in or released from 13 recorded sources across several diverse sectors. Within the healthcare, pharmaceuticals, and veterinary products sector, it is associated with medical devices. In the energy, oil, and gas sector as well as the industrial manufacturing and chemical processing sector, it is found in lubricants. It is present in food packaging within the food, food processing, and cookware sector. Additionally, it is found in textiles, leather, and furnishings, specifically in synthetic textiles and carpets and rugs. The compound is also linked to electrical and electronic equipment, including capacitors, batteries, wires and cables, printed circuit boards, and cell phones. Other sources include one additional sector. Recorded exposure routes for 3-Alpha-hydroxydesogestrel include oral intake, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaNot Available
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry Number70805-84-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C22H30O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,16-20,23-24H,3-4,6-11,13H2,1H3/t16-,17+,18+,19+,20-,21+,22+/m1/s1
InChI KeyZMLDTNLDYRJTAZ-JASYKLOUSA-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
2766.0Log mg/kg[1600:4900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)145.967
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)17.5161
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)9.03051
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)28.9599
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)12.6894
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)75.8251
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)512.559
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)305.792
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)399.678
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)1093.39
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)3627.0
Cytochrome P450 2C8 structureClick to view 3D structureCytochrome P450 2C8P10632HumansPredicted (SEA)3154.29
Ferritin heavy chain structureClick to view 3D structureFerritin heavy chainP02794HumansPredicted (SEA)0.233548
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)5972.51
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)6631.04
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)40.0924
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)1720.08
Click to view 3D structureGlucocorticoid receptorQ9N1U3Sus scrofaPredicted (SEA)5.52729
Click to view 3D structureGlucocorticoid receptorP06536Rattus norvegicusPredicted (SEA)62.6686
Click to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)353.046
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7312.07
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansPredicted (SEA)1037.81
Click to view 3D structureSolute carrier family 22 member 3O88446Rattus norvegicusPredicted (SEA)25.2231
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansPredicted (SEA)4002.31
Click to view 3D structureSolute carrier organic anion transporter family member 1A1P46720Rattus norvegicusPredicted (SEA)41.5715
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available