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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
Names and Synonyms:
Flumetasone
Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6α,11β,16α)-
Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,17,21-trihydroxy-16α-methyl-
(6α,11β,16α)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
U 10974
6α,9α-Difluoro-16α-methylprednisolone
6α,9-Difluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
Flumethasone
6α-Fluorodexamethasone
6α,9α-Difluoro-16α-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione
Flumethason
Aniprime
Flucort
Methagon
Anaprime
Flucorticin
Fluvet
RS 2177
Cortexillar
Flumetasone
Vecort
6α-Fluorodexamethazone
Aniprome
NSC 5402
NSC 54702
Flutamethasone
Identifiers:
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:
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
Key Properties
Melting Point
202-204 °C
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 | 410.46 g/mol | CAS Common Chemistry |
| 410.4570000000002 g/mol | RDKit | |
| 410.1904804359999 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 |
| Molar Refractivity | 100.22340000000004 | RDKit |
