misoprostol (free acid form)

Ligand id: 1935

Name: misoprostol (free acid form)

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 94.83
Molecular weight 368.26
XLogP 3.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug misoprostol (methyl ester)
IUPAC Name
7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
International Nonproprietary Names
INN number INN
5154 misoprostol
Synonyms
misoprostol acid | SC 30695
Database Links
CAS Registry No. 59122-46-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1201377
PubChem CID 6436406
Search Google for chemical match using the InChIKey CNWGPXZGIIOYDL-MKYGPDKMSA-N
Search Google for chemicals with the same backbone CNWGPXZGIIOYDL
Search PubMed clinical trials misoprostol
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Search PubMed titles/abstracts misoprostol
Search UniChem for chemical match using the InChIKey CNWGPXZGIIOYDL-MKYGPDKMSA-N
Search UniChem for chemicals with the same backbone CNWGPXZGIIOYDL
Wikipedia Misoprostol
Comments
Active metabolite of the approved drug misoprostol (methyl ester).