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Fluticasone Propionate
CAS: 80474-14-2 | C25H31F3O5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80474-14-2
Molecular Formula:
C25H31F3O5S
Molecular Mass:
500.58 g/mol
Names and Synonyms:
Fluticasone Propionate
Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, S-(fluoromethyl) ester, (6α,11β,16α,17α)-
Fluticasone propionate
Fluticasone 17-propionate
Flixotide
Flutide
Flutide N
Flixonase
Flovent Diskus
Flovent
Cutivate cream
Flonase
Flunase
Flutivate
Flixotide Disks
Flixotide Disk
Flixotide Inhaler
Zoflut
Atemur Mite
Cutivate
Flixonase Nasal Spray
Flonase Aq
CCI 18781
Cyclesonide
Fluticone
Axotide
Flovent Rotadisk
Rotadisk
F 9428
Identifiers:
SMILES:
CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI:
InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
Key Properties
Melting Point
272-273 °C (decomp)
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 500.58 g/mol | CAS Common Chemistry |
| 500.57900000000024 g/mol | RDKit | |
| 500.18442975199997 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(OC(=O)CC)(C(=O)SCF)C4(C)CC(O)C32F)C | CAS Common Chemistry |
| InChI | InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WMWTYOKRWGGJOA-CENSZEJFSA-N | CAS Common Chemistry |
| Melting Point | 272-273 °C (decomp) | CAS Common Chemistry |
| Name | Fluticasone propionate | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.67 Ų | RDKit |
| LogP | 4.430000000000004 | RDKit |
| Molar Refractivity | 120.86780000000005 | RDKit |
