21-Fluoro-11-hydroxy-pregn-4-ene-3,20-dione, (11beta)-
Basic information
- CAS
339-83-3- Standard SMILES
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CF- InChIKey
UXQRVGWQURFJGJ-HJTSIMOOSA-N- Molecular formula
- C21H29FO3
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.21007294
Overview
21-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 21-Fluoro-11-hydroxy-pregn-4-ene-3,20-dione, (11beta)-
- IUPAC
- (8S,9S,10R,11S,13S,14S,17S)-17-(2-fluoroacetyl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- (8S,9S,10R,11S,13R,14S,17S)-17-(2-fluoroacetyl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- Molecular formula
- C21H29FO3
- Molecular weight
- 348.45
Names & synonyms
339-83-321-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione21-Fluoro-11-hydroxy-pregn-4-ene-3,20-dione, (11beta)-6HOR108X19NSC-19614UNII-6HOR108X1921-Fluoro-11beta-hydroxyprogesterone21-fluoro-11-hydroxypregn-4-ene-3,20-dione(8S,9S,10R,11S,13S,14S,17S)-17-(2-fluoroacetyl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneCHEBI:79617DTXSID10955491NSC19614
Show more names
(8S,9S,10R,11S,13R,14S,17S)-17-(2-fluoroacetyl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
NSC 19614PROGESTERONE, 21-FLUORO-11.BETA.-HYDROXY-Q27148739(11beta)-21-fluoro-11-hydroxy-pregn-4-ene-3,20-dione21-FLUORO-11-HYDROXY-PREGN-4-ENE-3,20-DIONE, (11.BETA.)-PREGN-4-ENE-3,20-DIONE, 21-FLUORO-11-HYDROXY-, (11.BETA.)-
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 641
Physicochemical properties
- Boiling point
- 501.238 · 501.238±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.194 · 1.194±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.469 · 14.469±0.70(predicted)
- FDA UNII
- 6 HOR108X19 · 6HOR108X19
Chemistry & industry
Additional notes
DefinitionChEBI: 21-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione is a corticosteroid hormone.
Related reactions
0 records
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Compound notes
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