Basic information
- CAS
88430-50-6- Standard SMILES
CC#CCC(C)C(O)C=CC1C(O)CC2Oc3c(CCCC(=O)O)cccc3C21- InChIKey
CTPOHARTNNSRSR-UHFFFAOYSA-N- Molecular formula
- C24H30O5
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.20932405
Names & identifiers
- Preferred name
- 1H-Cyclopenta[b]benzofuran-5-butanoicacid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-yn-1-yl)-
- IUPAC
- 4-[2-hydroxy-1-(3-hydroxy-4-methyloct-1-en-6-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
- English name
- Beraprost
- Molecular formula
- C24H30O5
- Molecular weight
- 398.49
Names & synonyms
4-(2-Hydroxy-1-(3-hydroxy-4-methyloct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoic acid4-[2-hydroxy-1-(3-hydroxy-4-methyloct-1-en-6-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid1H-Cyclopenta[b]benzofuran-5-butanoicacid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-yn-1-yl)-orb1698163SCHEMBL1554145SCHEMBL19021104-[(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]benzofuran-5-yl]butanoic acidDB-057069DomerML 1229BefaprostBERAPROST
Show more names
MDL 201229BeraprostumUnii-35E3njj4o6Berprost Impurity 3Beraprostum [inn-latin]JWH-018 Impurity 5(N-Pentyl-5-carboxylic Acid)
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 659
Physicochemical properties
- Boiling point
- 572.1 · 572.1±50.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.10(Predicted)
- FDA UNII
- 35 E3NJJ4O6 · 35E3NJJ4O6
- ATC code
- 1 AC19 · B01AC19
Chemistry & industry
Applications
UsesPlatelet aggregation inhibitor; stable analog of Prostacyclin. Antithrombotic; vasodilator (peripheral).
Upstream & downstream products
Upstream raw materials
Suppliers38 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
山东艾斯曼新材料有限公司13698626386 13698626386 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Related reactions
1 records
Compound notes
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