Fiboflapon SodiumProduct ingredient for Fiboflapon
- Name
- Fiboflapon Sodium
- Drug Entry
- Fiboflapon
- Accession Number
- DBSALT002007
- Structure
Structure for Fiboflapon Sodium (DBSALT002007)
- Synonyms
- Not Available
- UNII
- 75YS00XOG3
- CAS Number
- 1196070-26-4
- Weight
- Average: 659.82
Monoisotopic: 659.2793723 - Chemical Formula
- C38H42N3NaO4S
- InChI Key
- NOJNFULGOQGBKB-UHFFFAOYSA-M
- InChI
- InChI=1S/C38H43N3O4S.Na/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43;/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43);/q;+1/p-1
- IUPAC Name
- sodium 3-[3-(tert-butylsulfanyl)-1-{[4-(6-ethoxypyridin-3-yl)phenyl]methyl}-5-[(5-methylpyridin-2-yl)methoxy]-1H-indol-2-yl]-2,2-dimethylpropanoate
- SMILES
- [Na+].CCOC1=CC=C(C=N1)C1=CC=C(CN2C(CC(C)(C)C([O-])=O)=C(SC(C)(C)C)C3=CC(OCC4=CC=C(C)C=N4)=CC=C23)C=C1
- External Links
- ChemSpider
- 25991417
- ChEMBL
- CHEMBL1922673
- Predicted Properties
Property Value Source Water Solubility 0.000148 mg/mL ALOGPS logP 8.51 ALOGPS logP 7.92 Chemaxon logS -6.6 ALOGPS pKa (Strongest Acidic) 4.67 Chemaxon pKa (Strongest Basic) 4.06 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 89.3 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 197.16 m3·mol-1 Chemaxon Polarizability 73.18 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon