Structure via PubChem · Public domain (PubChem)
estrone sulfate
Sign in to saveAlso known as Estrone bisulfate, Estrone hydrogen sulfate, Estrone-3-sulphate, Estrone, hydrogen sulfate, Estra-1,3,5 (10)-triene-17-one-3-yl-sulfate, Estrone 3-sulfate, estrone sulphate
chemical compound
Chemical data
- Formula
- C18H22O5S
- Molecular weight
- 350.4 g/mol
- IUPAC name
- [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
- SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
- InChIKey
- JKKFKPJIXZFSSB-CBZIJGRNSA-N
- XLogP
- 2.5
- Polar surface area
- 89.1 Ų
- H-bond donors
- 1
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Approved
- Molecule type
- Small molecule
- First approval
- 1977
- Admin. routes
- oral, topical
via ChEMBL · EBI
Wikidata facts
- Subclass of
- steroid
- Mass
- 350.118795
- Has use
- medication
Show 6 more facts
- chemical formula
- C₁₈H₂₂O₅S
- canonical SMILES
- CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
- isomeric SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
- found in taxon
- house mouse
- Commons category
- Estrone sulfate
- subject has role
- primary metabolite
via Wikidata · CC0