ethinylestradiol

Ligand id: 7071

Name: ethinylestradiol

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 40.46
Molecular weight 296.18
XLogP 4.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
Prodrug mestranol
IUPAC Name
(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
International Nonproprietary Names
INN number INN
437 ethinylestradiol
Synonyms
17α-ethynylestradiol | ethinyl estradiol
Comments
Ethinylestradiol is contained in a large number of combined oral contraceptive formulations and HRT medications. Use of ethinylestradiol, unapposed by a progestin, increases the risk of endometrial cancer.
Database Links
CAS Registry No. 57-63-6
ChEBI CHEBI:4903
ChEMBL Ligand CHEMBL691
DrugBank Ligand DB00977
GtoPdb PubChem SID 178103650
NURSA Ligand 10.1621/XLZYGNE63I
PubChem CID 5991
RCSB PDB Ligand 3WF
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Wikipedia Ethinyl estradiol