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Fluocinolone 16,17-Acetonide
CAS: 67-73-2 | C24H30F2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67-73-2
Molecular Formula:
C24H30F2O6
Molecular Weight:
452.49400000000026 g/mol
Names and Synonyms:
Fluocinolone 16,17-Acetonide
Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,11β,16α)-
Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
(6α,11β,16α)-6,9-Difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
6α,9α-Difluoro-16α,17α-isopropylidenedioxy-Δ1-hydrocortisone
6α,9α-Difluoro-11β,16α,17α,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide
6α,9-Difluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17 acetal with acetone
Fluocinolone acetonide
16α,17α-Isopropylidene-6α,9α-difluoro-1,4-pregnadiene-11β,16α,17α,21-tetrol-3,20-dione
Synalar
Fluocinolone 16,17-acetonide
6α-Fluorotriamcinolone acetonide
6α,9α-Difluoro-16α-hydroxyprednisolone 16,17-acetonide
Dermalar
Jellin
Synamol
Synsac
Synandone
Localyn Syntex
Fluovitif
6α,9-Difluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
Sinalar
Radiocin
RS 1401AT
Synandrone
Percutina
Prodermin
Dermatin
Synaflan
Dermatin (steroid)
Fluocinolone 16α,17α-acetonide
Fluzon
Synotic
Fluovitef
NSC 92339
Coriphate
Fluonid
Localyn
Synemol
Cortiplastol
Fluvean
Retisert
Sinaflan
Iluvien
Identifiers:
SMILES:
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI:
InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 452.49 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=CC2(C(=C1)C(F)CC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32F)(C)C)C None | Legacy Database |
| cas-inchi | InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=FEBLZLNTKCEFIT-VSXGLTOVSA-N None | Legacy Database |
| cas-melting-point | 266 °C None | Legacy Database |
| cas-name | Fluocinolone 16,17-acetonide None | Legacy Database |
| LogP | 2.366800000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 452.49400000000026 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 452.2010451199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 32 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 93.06 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 108.87760000000004 | RDKit |
