Fluprostenol sodiumProduct ingredient for Fluprostenol
- Name
- Fluprostenol sodium
- Drug Entry
- Fluprostenol
- Accession Number
- DBSALT001683
- Structure
Structure for Fluprostenol sodium (DBSALT001683)
- Synonyms
- Not Available
- UNII
- 6H4ZY4O7NA
- CAS Number
- 55028-71-2
- Weight
- Average: 480.456
Monoisotopic: 480.17356739 - Chemical Formula
- C23H28F3NaO6
- InChI Key
- MUVLUMTZYKYXRV-KXXGZHCCSA-M
- InChI
- InChI=1S/C23H29F3O6.Na/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31;/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19-,20+,21-;/m1./s1
- IUPAC Name
- sodium (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoate
- SMILES
- [Na+].[H]\C(CCCC([O-])=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)COC1=CC=CC(=C1)C(F)(F)F
- External Links
- ChemSpider
- 10128565
- ChEMBL
- CHEMBL2107435
- Predicted Properties
Property Value Source Water Solubility 0.0206 mg/mL ALOGPS logP 3.14 ALOGPS logP 2.92 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 4.36 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 110.05 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 124.76 m3·mol-1 Chemaxon Polarizability 44.24 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon