beraprost

Ligand id: 1967

Name: beraprost

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 86.99
Molecular weight 398.21
XLogP 3.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-{4-hydroxy-3-[(1E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-trien-9-yl}butanoic acid
International Nonproprietary Names
INN number INN
6261 beraprost
Synonyms
MDL 201229 | MDL-201229 | ML 1229 | ML-1229
Database Links
CAS Registry No. 88430-50-6 (source: Scifinder)
PubChem CID 5282428
Search Google for chemical match using the InChIKey CTPOHARTNNSRSR-OUKQBFOZSA-N
Search Google for chemicals with the same backbone CTPOHARTNNSRSR
Search PubMed clinical trials beraprost
Search PubMed titles beraprost
Search PubMed titles/abstracts beraprost
Search UniChem for chemical match using the InChIKey CTPOHARTNNSRSR-OUKQBFOZSA-N
Search UniChem for chemicals with the same backbone CTPOHARTNNSRSR
Wikipedia Beraprost
Comments
The structure of beraprost as specified by the INN-registered compound is a racemic mixture of two epimers and their enantiomers. The structure shown here does not specfify stereochemistry and represents the mixture.