Metabolite M21 fluticasone furoate
- Name
- M21 fluticasone furoate
- Description
- Not Available
- Structure
Structure for M21 fluticasone furoate
- Synonyms
- Not Available
- UNII
- 47LZ6UGI1U
- CAS number
- Not Available
- Weight
- Average: 536.59
Monoisotopic: 536.168030806 - Chemical Formula
- C27H30F2O7S
- InChI Key
- JTBFBDVJVVFAQO-IVRQEYNQSA-N
- InChI
- InChI=1S/C27H30F2O7S/c1-14-9-16-17-11-19(31)18-10-15(30)6-7-24(18,2)26(17,29)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,31-32H,9,11-13H2,1-3H3/t14-,16+,17+,19-,21+,24+,25+,26+,27+/m1/s1
- IUPAC Name
- (1R,2R,3aS,3bS,5R,9aS,9bR,10S,11aS)-9b-fluoro-1-{[(fluoromethyl)sulfanyl]carbonyl}-5,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl furan-2-carboxylate
- SMILES
- [H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 32702314
- Predicted Properties
Property Value Source logP 3.24 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 114.04 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 131.78 m3·mol-1 Chemaxon Polarizability 52.33 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon