9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione
Basic information
- CAS
3109-01-1- Standard SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)C1=O- InChIKey
IZLVPOBNINIXJM-BUMFJRDRSA-N- Molecular formula
- C20H25FO3
- Average molar mass
- 332.4 g/mol
Overview
9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione is a 3-hydroxy steroid. It has a role as an androgen.
Names & identifiers
- Preferred name
- 9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione
- IUPAC
- (8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
- English name
- Betamethasone-17-ketone
- Molecular formula
- C20H25FO3
- Molecular weight
- 332.41
Names & synonyms
Betamethasone-17-ketone3109-01-117-Oxo Betamethasone9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dioneD31QPG5VFRNSC-52437(8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione(8S,9R,10S,11S,13S,14S,16S)-9-Fluoro-11-hydroxy-10,13,16-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dioneC20H25FO3NSC52437(11?,16?)- 9-Fluoro-11-hydroxy-16-methyl-androsta-1,4-diene-3,17-dione; 9?-Fluoro-11?-hydroxy-16?-methyl-1,4-androstadiene-3,17-dione; NSC 52437;UNII-D31QPG5VFR
Show more names
17-OxoβmethasoneBetamethasone 17-Oxo Impurity9α-Fluoro-11β-hydroxy-16β-Methyl-1,4-androstadiene-3,17-dioneBetamethasone-17-ketone (9α-Fluoro-11β-hydroxy-16β-methylandrosta-1,4-diene-3,17-dione)(8S,9R,10S,11S,13S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dione
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 695
Physicochemical properties
- Melting point
- 295 · 295-297°C
- Boiling point
- 478.785 · 478.785±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.237 · 1.237±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.233 · 13.233±0.70(predicted)
- color
- White to Off-White
- FDA UNII
- 31 QPG5VFR · D31QPG5VFR
- HS Code
- 9999999999 · 9999999999
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 9999999999
Chemistry & industry
Applications
UsesA metabolite of Betamethasone.
Additional notes
DefinitionChEBI: 9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione is a 3-hydroxy steroid. It has a role as an androgen.
Related reactions
1 records
Compound notes
Loading…