mestranol

Ligand id: 7087

Name: mestranol

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: mestranol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 29.46
Molecular weight 310.19
XLogP 5.19
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1962))
Is prodrug? Yes
Active form ethinylestradiol
IUPAC Name
(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
International Nonproprietary Names
INN number INN
1139 mestranol
Synonyms
EE3-ME
Database Links
CAS Registry No. 72-33-3
ChEBI CHEBI:6784
ChEMBL Ligand CHEMBL1201151
DrugBank Ligand DB01357
PubChem CID 6291
Search Google for chemical match using the InChIKey IMSSROKUHAOUJS-MJCUULBUSA-N
Search Google for chemicals with the same backbone IMSSROKUHAOUJS
Search PubMed clinical trials mestranol
Search PubMed titles mestranol
Search PubMed titles/abstracts mestranol
Search UniChem for chemical match using the InChIKey IMSSROKUHAOUJS-MJCUULBUSA-N
Search UniChem for chemicals with the same backbone IMSSROKUHAOUJS
Wikipedia Mestranol
Comments
Mestranol is the inactive prodrug of ethinylestradiol. Marketing authorisation is for a combined norethisterone/mestranol formulation.