6b-Methyl Fluorometholone
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Basic information
- CAS
3918-13-6- Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
FAOZLTXFLGPHNG-PESIIREASA-N- Molecular formula
- C22H29FO4
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.20498756
Names & identifiers
- Preferred name
- 6b-Methyl Fluorometholone
- IUPAC
- (6R,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
- English name
- 6β-Methyl FluoroMetholone
- Molecular formula
- C22H29FO4
- Molecular weight
- 376.46
Names & synonyms
6b-Methyl Fluorometholone3918-13-6Pregna-1,4-diene-3,20-dione, 9-fluoro-11ss,17-dihydroxy-6ss-methyl- (8CI); 6ss-fluorometholone6-beta-Methyl FluorometholoneFluorometholone Impurity 136β-Methyl FluorometholoneFluorometholone 6β-Methyl Isomer6β-Methyl Fluorometholone, CAS 3918-13-6Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17-dihydroxy-6β-methyl- (8CI)
Database identifiers
- CAS
3918-13-6- PubChem CID
- 92210076
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 787
Physicochemical properties
- Melting point
- 256 °C · >256°C (dec.)
- Boiling point
- 527.117 · 527.117±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.259 · 1.259±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly), Pyridine (Slightly)
- form
- Solid
- pka
- 12.5 · 12.500±0.70(predicted)
- color
- White to Off-White
- Stability
- Not stable in Acidic or basic condition
Chemistry & industry
Applications
Uses6β-Methyl Fluorometholone is an impurity in the synthesis of Fluorometholone (F593145), a glucocorticoid; anti-inflammatory.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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