butaprost (free acid form)

Ligand id: 1892

Name: butaprost (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 394.27
XLogP 3.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-[(1R,2R,3R)-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoic acid
Synonyms
butaprost acid
Database Links
ChEMBL Ligand CHEMBL1628262
PubChem CID 25886893
Search Google for chemical match using the InChIKey PAYNQYXOKJDXAV-ZHIWTBQHSA-N
Search Google for chemicals with the same backbone PAYNQYXOKJDXAV
Search UniChem for chemical match using the InChIKey PAYNQYXOKJDXAV-ZHIWTBQHSA-N
Search UniChem for chemicals with the same backbone PAYNQYXOKJDXAV
Comments
The free acid form of butaprost shown here is often used experimentally. However, the INN-assigned structure of butaprost does not have the free acid group.