2-Methyl-9alpha-fluorohydrocortisone, (2R)-
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Basic information
- CAS
432-34-8- Standard SMILES
C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F- InChIKey
YUCOGNZKLOYCGL-CPEVGGJCSA-N- Molecular formula
- C22H31FO5
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.21555225
Names & identifiers
- Preferred name
- 2-Methyl-9alpha-fluorohydrocortisone, (2R)-
- IUPAC
- (2R,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
- English name
- 2 alpha-methyl-9 alpha-fluorocortisol
- Molecular formula
- C22H31FO5
- Molecular weight
- 394.48
Names & synonyms
2alpha-Methyl-9alpha-fluorocortisol432-34-8L90OTL9FG0UNII-L90OTL9FG02.ALPHA.-METHYL-9.ALPHA.-FLUOROCORTISOL9.ALPHA.-FLUORO-2.ALPHA.-METHYLCORTISOLPregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (2.alpha.,11.beta.)-2.ALPHA.-METHYL-9.ALPHA.-FLUOROHYDROCORTISONE2-METHYL-9.ALPHA.-FLUOROHYDROCORTISONE, (2R)-(2alpha,11beta)-9-Fluoro-11,17,21-trihydroxy-2-methylpregn-4-ene-3,20-dioneRefChem:1978659ALPHA-FLUORO-2ALPHA-METHYLCORTISOL
Show more names
2 alpha-methyl-9 alpha-fluorocortisol(2alpha)-9-fluoro-11,17,21-trihydroxy-2-methylpregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (2α,11β)-
2-Methyl-9alpha-fluorohydrocortisone, (2R)-2ALPHA-METHYL-9ALPHA-FLUOROHYDROCORTISONEPREGN-4-ENE-3,20-DIONE, 9-FLUORO-11,17,21-TRIHYDROXY-2-METHYL-, (2ALPHA,11BETA)-CHEMBL93948(2R,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-oneSCHEMBL3685514BDBM5047460411b,17,21-trihydroxy-2a-methyl-9a-fluoro-4-pregnene-3,20-dione
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 764
Physicochemical properties
- Boiling point
- 566.587 · 566.587±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.302 · 1.302±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.116 · 12.116±0.70(predicted)
- CAS DataBase Reference
- 432 · 432-34-8
- FDA UNII
- 90 OTL9FG0 · L90OTL9FG0
Related reactions
0 records
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Compound notes
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