Beraprost Sodium
sodium 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
Molecular Identity
Beraprost Sodium
sodium 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
PubChem CID: 23663404
Beraprost sodium is the organic sodium salt of beraprost. It is used in the treatment of chronic arterial occlusive disease and primary pulmonary hypertension in Japan. It has a role as a vasodilator agent, an antihypertensive agent, a platelet aggregation inhibitor, a prostaglandin receptor agonist and an anti-inflammatory agent. It contains a beraprost(1-).
2D Structure
Properties
C24H29NaO5
Molecular Formula
420.50
Molecular Weight
g/mol
420.1913
Exact Mass
Da
89.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
665
Complexity
SMILES
Canonical SMILES
SMILES: CC#CCC(C)C(C=CC1C(CC2C1C3=CC=CC(=C3O2)CCCC(=O)[O-])O)O.[Na+]Isomeric SMILES
SMILES: CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)[O-])O)O.[Na+]Synonyms(20)
BERAPROST SODIUMBeraprost sodium saltProcylin88475-69-8TRK-100TRK-100STPDTXSID2048585ML-1129MDL-20112915K99VDU5FDTXCID2028511CHEBI:312701H-Cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-, monosodium saltSodium (+-)-(1R,2R,3aS,8bS)-2,3,3a,8b-tetrahydro-2-hydroxy-1-((E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-ynyl)-1H-cyclopenta(b)benzofuran-5-butyrateRefChem:119033
Data from PubChem (NCBI)
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