estrone-3-sulphate

Ligand id: 4749

Name: estrone-3-sulphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 89.05
Molecular weight 350.12
XLogP 2.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1977))
IUPAC Name
[(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxidanesulfonic acid
Synonyms
estrone hydrogen sulfate | estrone hydrogen sulphate | estrone-3-sulfate | Ogen®
Database Links
CAS Registry No. 481-97-0 (source: Scifinder)
ChEBI CHEBI:17474
ChEMBL Ligand CHEMBL494753
DrugBank Ligand DB04574
PubChem CID 3001028
Search Google for chemical match using the InChIKey JKKFKPJIXZFSSB-CBZIJGRNSA-N
Search Google for chemicals with the same backbone JKKFKPJIXZFSSB
Search UniChem for chemical match using the InChIKey JKKFKPJIXZFSSB-CBZIJGRNSA-N
Search UniChem for chemicals with the same backbone JKKFKPJIXZFSSB
Wikipedia Estrone sulfate
Comments
A component of the approved drug estropipate (a salt of estrone sulfate and piperazine).