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Molecule
Fluticasone Propionate
CAS: 80474-14-2 · C25H31F3O5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 80474-14-2
- Molecular Formula
- C25H31F3O5S
- Molecular Mass
- 500.58 g/mol
Identifiers
CAS Registry Number
80474-14-2
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 Key
WMWTYOKRWGGJOA-CENSZEJFSA-N
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
Names and Synonyms
- Fluticasone Propionate Synonym
- 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)- Synonym
- Fluticasone propionate Synonym
- Fluticasone 17-propionate Synonym
- Flixotide Synonym
- Flutide Synonym
- Flutide N Synonym
- Flixonase Synonym
- Flovent Diskus Synonym
- Flovent Synonym
- Cutivate cream Synonym
- Flonase Synonym
- Flunase Synonym
- Flutivate Synonym
- Flixotide Disks Synonym
- Flixotide Disk Synonym
- Flixotide Inhaler Synonym
- Zoflut Synonym
- Atemur Mite Synonym
- Cutivate Synonym
- Flixonase Nasal Spray Synonym
- Flonase Aq Synonym
- CCI 18781 Synonym
- Cyclesonide Synonym
- Fluticone Synonym
- Axotide Synonym
- Flovent Rotadisk Synonym
- Rotadisk Synonym
- F 9428 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 500.58 g/mol | CAS Common Chemistry |
| 500.57900000000024 g/mol | RDKit | |
| 500.579 g/mol | RDKit | |
| 500.572 g/mol | chempirical lib | |
| 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 |
| 4.43 | RDKit | |
| Molar Refractivity | 120.86780000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.72 | RDKit |
| Exact Mass | 500.18442975199997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 500.58 g/mol. Edit any field — others recompute live.
