Epoprostenol sodiumProduct ingredient for Epoprostenol
- Name
- Epoprostenol sodium
- Drug Entry
- Epoprostenol
A prostaglandin that is a powerful vasodilator and inhibits platelet aggregation. It is biosynthesized enzymatically from prostaglandin endoperoxides in human vascular tissue. The sodium salt has been also used to treat primary pulmonary hypertension.
- Accession Number
- DBSALT001218
- Structure
Structure for Epoprostenol sodium (DBSALT001218)
- Synonyms
- Not Available
- UNII
- 4K04IQ1OF4
- CAS Number
- 61849-14-7
- Weight
- Average: 374.453
Monoisotopic: 374.20691838 - Chemical Formula
- C20H31NaO5
- InChI Key
- LMHIPJMTZHDKEW-XQYLJSSYSA-M
- InChI
- InChI=1S/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/p-1/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1
- IUPAC Name
- sodium 5-[(2Z,3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-hexahydro-2H-cyclopenta[b]furan-2-ylidene]pentanoate
- SMILES
- [Na+].[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC([O-])=O
- External Links
- ChemSpider
- 4445565
- ChEBI
- 31548
- ChEMBL
- CHEMBL962
- Wikipedia
- Prostacyclin
- Predicted Properties
Property Value Source Water Solubility 0.19 mg/mL ALOGPS logP 3.51 ALOGPS logP 2.42 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 4.43 Chemaxon pKa (Strongest Basic) -1.6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 89.82 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 109.84 m3·mol-1 Chemaxon Polarizability 40.97 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon