9-Fluoro-11beta,21-dihydroxy-16alpha,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione
Basic information
- CAS
1524-86-3- Standard SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1- InChIKey
TZFZVQNBXVBQDC-JNQJZLCISA-N- Molecular formula
- C24H33FO6
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.22611693
Overview
9-Fluoro-11beta,21-dihydroxy-16alpha,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione is a 21-hydroxy steroid.
Names & identifiers
- Preferred name
- 9-Fluoro-11beta,21-dihydroxy-16alpha,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione
- IUPAC
- (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
- English name
- 9-Fluoro-16a,17-(isopropylidenedioxy)corticosterone
- Molecular formula
- C24H33FO6
- Molecular weight
- 436.51
Names & synonyms
1524-86-39-Fluoro-16a,17-(isopropylidenedioxy)corticosterone9-Fluoro-11beta,21-dihydroxy-16alpha,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-oneUX031M662VNSC-2191511beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide9-Fluoro-16a,17-(isopropylidenedioxy) Corticosterone9-Fluoro-16alpha,17-(isopropylidenedioxy) CorticosteroneTriamcinolone Acetonide EP Impurity E(11beta,16alpha)-9-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione(6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS)-6b-fluoro-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a,10,10-tetramethyl-5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4(2H)-one
Show more names
9-fluoro-11β,21-dihydroxy-16α,17-(1-methylethylidenedioxy)pregna-4-ene-3,20-dione (1,2-dihydrotriamcinolone acetonide)
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 883
Physicochemical properties
- Melting point
- 249 · 249-254°C (dec.)
- Boiling point
- 575.7 · 575.7±50.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.87 · 12.87±0.10(Predicted)
- color
- Pale Yellow to Light Yellow
- InChIKey
- TZFZVQNBXVBQDC-QOAHDWARNA-N
- SMILES
- [C@@]12(C(CO)=O)OC(O[C@]1([H])C[C@@]1([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C)=O)(C)C |&1:0,8,11,13,22,24,26,29,r|
- FDA UNII
- 31 M662V · UX031M662V
Chemistry & industry
Applications
Uses9-Fluoro-16α,17-(isopropylidenedioxy) Corticosterone (Triamcinolone Acetonide EP Impurity E) is a synthetic fluorinated corticosteroid tested for inhibition of granuloma in rats and for vasoconstriction activity in human subjects; potential topical antiinflammatory agent.
Additional notes
DefinitionChEBI: 9-Fluoro-11beta,21-dihydroxy-16alpha,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione is a 21-hydroxy steroid.
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