iloprost

Ligand id: 1895

Name: iloprost

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 77.76
Molecular weight 360.23
XLogP 3.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2004))
IUPAC Name
(5E)-5-[(3aS,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
International Nonproprietary Names
INN number INN
4972 iloprost
Synonyms
Ventavis®
Database Links
CAS Registry No. 78919-13-8
ChEBI CHEBI:63916
ChEMBL Ligand CHEMBL236025
DrugBank Ligand DB01088
PubChem CID 6435378
Search Google for chemical match using the InChIKey HIFJCPQKFCZDDL-SGSAMSKHSA-N
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Wikipedia Iloprost
Comments
Iloprost is a synthetic analogue of PGI2.