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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
Names and Synonyms:
Dexamethasone
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11β,16α)-
Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-
(11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
MK 125
Corsone
Decaderm
Decadron
Decasone
1-Dehydro-16α-methyl-9α-fluorohydrocortisone
Dergramin
Deronil
Desadrene
Dexacort
Dexa-Cortidelt
Dexadeltone
Dexameth
Dexamethasone
Dextelan
9α-Fluoro-16α-methylprednisolone
9α-Fluoro-16α-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione
9α-Fluoro-16α-methyl-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione
9-Fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
9α-Fluoro-11β,17α,21-trihydroxy-16α-methyl-1,4-pregnadiene-3,20-dione
Gammacorten
Hexadecadrol
Hexadrol
16α-Methyl-9α-fluoro-Δ1-hydrocortisone
16α-Methyl-9α-fluoroprednisolone
16α-Methyl-9α-fluoro-1,4-pregnadiene-11β,17α,21-triol-3,20-dione
16α-Methyl-9α-fluoro-11β,17α,21-trihydroxypregna-1,4-diene-3,20-dione
Maxidex
Millicorten
Oradexon
Superprednol
Deltafluorene
Dexamethasone alcohol
Dexason
Prednisolon F
Dexa-Scheroson
Dexalona
Aphtasolon
Desameton
Calonat
Dekacort
Visumetazone
Prednisolone F
Dexapolcort
Azium
HL-Dex
Fluorocort
Dexaprol
Dexaltin
Aphthasolone
Dexasone
Dexonium
Luxazone
Decalix
Lokalison F
Dexa-sine
Aeroseb-Dex
Dinormon
Pet-Derm III
Deseronil
Dexacortal
Dexafarma
Dexapos
Dexacortin
Cortisumman
Loverine
Dexinoral
Fluormone
Dexamonozon
Isopto-Dex
Dexa-Mamallet
Decacort
Adexone
NSC 34521
Decadron A
Delipos
Gentalipos
Surodex
Etacortilen
Dexone
Diodex
Posurdex
Dexmethsone
Dekort
Ozurdex
Dexaratiopharm
Dexaven
Dexium
Minidex
Fluormethylprednisolone
DEX
Oftan
Neofordex
Identifiers:
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:
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
Key Properties
Melting Point
262-264 °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 | 392.47 g/mol | CAS Common Chemistry |
| 392.4670000000002 g/mol | RDKit | |
| 392.19990224799994 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 |
| Molar Refractivity | 99.94440000000004 | RDKit |
