Esuberaprost
4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
Molecular Identity
Esuberaprost
4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
PubChem CID: 10501053
2D Structure
Properties
C24H30O5
Molecular Formula
398.50
Molecular Weight
g/mol
398.2093
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
87
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
659
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
EsuberaprostAPS-314D free acidBeraprost, (+)-94132-88-41JSN1I75821H-Cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-((1E,3S,4S)-3-hydroxy-4-methyl-1-octen-6-ynyl)-, (1R,2R,3aS,8bS)-(8S,9S,16S)Beraprost IsomerEsuberaprost [USAN:INN]UNII-1JSN1I7582Beraprost Impurity 71Esuberaprost (USAN/INN)ESUBERAPROST [INN]ESUBERAPROST [WHO-DD]GTPL8314CHEMBL3137314
Data from PubChem (NCBI)
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