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Dexamethasone
CAS: 50-02-2 | C22H29FO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 50-02-2
- Molecular Formula
- C22H29FO5
- Molecular Mass
- 392.47 g/mol
Identifiers
CAS Registry Number
50-02-2
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=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
UREBDLICKHMUKA-CXSFZGCWSA-N
InChI
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
Names and Synonyms
- Dexamethasone Common Name
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11β,16α)- Synonym
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl- Synonym
- (11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione Synonym
- MK 125 Synonym
- Corsone Synonym
- Decaderm Synonym
- Decadron Synonym
- Decasone Synonym
- 1-Dehydro-16α-methyl-9α-fluorohydrocortisone Synonym
- Dergramin Synonym
- Deronil Synonym
- Desadrene Synonym
- Dexacort Synonym
- Dexa-Cortidelt Synonym
- Dexadeltone Synonym
- Dexameth Synonym
- Dexamethasone Synonym
- Dextelan Synonym
- 9α-Fluoro-16α-methylprednisolone Synonym
- 9α-Fluoro-16α-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione Synonym
- 9α-Fluoro-16α-methyl-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione Synonym
- 9-Fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione Synonym
- 9α-Fluoro-11β,17α,21-trihydroxy-16α-methyl-1,4-pregnadiene-3,20-dione Synonym
- Gammacorten Synonym
- Hexadecadrol Synonym
- Hexadrol Synonym
- 16α-Methyl-9α-fluoro-Δ1-hydrocortisone Synonym
- 16α-Methyl-9α-fluoroprednisolone Synonym
- 16α-Methyl-9α-fluoro-1,4-pregnadiene-11β,17α,21-triol-3,20-dione Synonym
- 16α-Methyl-9α-fluoro-11β,17α,21-trihydroxypregna-1,4-diene-3,20-dione Synonym
- Maxidex Synonym
- Millicorten Synonym
- Oradexon Synonym
- Superprednol Synonym
- Deltafluorene Synonym
- Dexamethasone alcohol Synonym
- Dexason Synonym
- Prednisolon F Synonym
- Dexa-Scheroson Synonym
- Dexalona Synonym
- Aphtasolon Synonym
- Desameton Synonym
- Calonat Synonym
- Dekacort Synonym
- Visumetazone Synonym
- Prednisolone F Synonym
- Dexapolcort Synonym
- Azium Synonym
- HL-Dex Synonym
- Fluorocort Synonym
- Dexaprol Synonym
- Dexaltin Synonym
- Aphthasolone Synonym
- Dexasone Synonym
- Dexonium Synonym
- Luxazone Synonym
- Decalix Synonym
- Lokalison F Synonym
- Dexa-sine Synonym
- Aeroseb-Dex Synonym
- Dinormon Synonym
- Pet-Derm III Synonym
- Deseronil Synonym
- Dexacortal Synonym
- Dexafarma Synonym
- Dexapos Synonym
- Dexacortin Synonym
- Cortisumman Synonym
- Loverine Synonym
- Dexinoral Synonym
- Fluormone Synonym
- Dexamonozon Synonym
- Isopto-Dex Synonym
- Dexa-Mamallet Synonym
- Decacort Synonym
- Adexone Synonym
- NSC 34521 Synonym
- Decadron A Synonym
- Delipos Synonym
- Gentalipos Synonym
- Surodex Synonym
- Etacortilen Synonym
- Dexone Synonym
- Diodex Synonym
- Posurdex Synonym
- Dexmethsone Synonym
- Dekort Synonym
- Ozurdex Synonym
- Dexaratiopharm Synonym
- Dexaven Synonym
- Dexium Synonym
- Minidex Synonym
- Fluormethylprednisolone Synonym
- DEX Synonym
- Oftan Synonym
- Neofordex Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 392.47 g/mol | CAS Common Chemistry |
| 392.4670000000002 g/mol | RDKit | |
| 392.467 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C32F)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UREBDLICKHMUKA-CXSFZGCWSA-N | CAS Common Chemistry |
| Melting Point | 262-264 °C | CAS Common Chemistry |
| Name | Dexamethasone | CAS Common Chemistry |
| Heavy Atom Count | 28 | 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 | 1.8957000000000002 | RDKit |
| 1.8957 | RDKit | |
| Molar Refractivity | 99.94440000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7273 | RDKit |
| 0.73 | chempirical lib | |
| Exact Mass | 392.19990224799994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
