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Molecule
Flumetasone
CAS: 2135-17-3 · C22H28F2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2135-17-3
- Molecular Formula
- C22H28F2O5
- Molecular Mass
- 410.46 g/mol
Identifiers
CAS Registry Number
2135-17-3
SMILES
C[C@@H]1C[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@]2(C)[C@@]1(O)C(=O)CO
InChI Key
WXURHACBFYSXBI-GQKYHHCASA-N
InChI
InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
Names and Synonyms
- Flumetasone Synonym
- Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6α,11β,16α)- Synonym
- Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,17,21-trihydroxy-16α-methyl- Synonym
- (6α,11β,16α)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione Synonym
- U 10974 Synonym
- 6α,9α-Difluoro-16α-methylprednisolone Synonym
- 6α,9-Difluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione Synonym
- Flumethasone Synonym
- 6α-Fluorodexamethasone Synonym
- 6α,9α-Difluoro-16α-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione Synonym
- Flumethason Synonym
- Aniprime Synonym
- Flucort Synonym
- Methagon Synonym
- Anaprime Synonym
- Flucorticin Synonym
- Fluvet Synonym
- RS 2177 Synonym
- Cortexillar Synonym
- Flumetasone Synonym
- Vecort Synonym
- 6α-Fluorodexamethazone Synonym
- Aniprome Synonym
- NSC 5402 Synonym
- NSC 54702 Synonym
- Flutamethasone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 410.46 g/mol | CAS Common Chemistry |
| 410.4570000000002 g/mol | RDKit | |
| 410.457 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C32F)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WXURHACBFYSXBI-GQKYHHCASA-N | CAS Common Chemistry |
| Melting Point | 202-204 °C | CAS Common Chemistry |
| Name | Flumetasone | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.83 Ų | RDKit |
| LogP | 1.8436999999999997 | RDKit |
| 1.8437 | RDKit | |
| Molar Refractivity | 100.22340000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7273 | RDKit |
| 0.73 | chempirical lib | |
| Exact Mass | 410.1904804359999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 410.46 g/mol. Edit any field — others recompute live.
