Hoe 892
methyl 4-[[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]sulfanyl]butanoate
Also Known As: Tilsuprost|Tilsuprostum|Hoe 892|beta-Thia-imino-prostacyclin|Tilsuprost [INN]|Tilsuprostum [Latin]|Hoe-892|S 79 2892 A|methyl 4-[[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]sulfanyl]butanoate|Butanoic acid, 4-((3,3a,4,5,6,6a-hexahydro-5-hydroxy-4-(3-hydroxy-1-octenyl)cyclopenta(b)pyrrol-2-yl)thio)-, methyl ester, (3aR-(3aalpha,4alpha(1E,3S*),5beta,6aalpha))-|methyl 4-(((3aR,4R,5R,6aS)-5-hydroxy-4-((S,E)-3-hydroxyoct-1-en-1-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl)thio)butanoate
| Molecular Formula | C20H33NO4S |
|---|---|
| Molecular Weight | 383.21304 g/mol |
| LogP | 3.338 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 383.21304 |
| Monoisotopic Mass | 383.21304 |
| Heavy Atoms | 26 |
| Complexity | 508.03964 |
Chemical Identifiers
| CAS Number | 75111-35-2 |
|---|---|
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=N2)SCCCC(=O)OC)O)O |
Product Overview
Hoe 892 (CAS 75111-35-2), with molecular formula C20H33NO4S and molecular weight 383.21304 g/mol. IUPAC: methyl 4-[[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]sulfanyl]butanoate.