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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 Weight:
392.4670000000002 g/mol
Names and Synonyms:
Dexamethasone
Common Name
Neofordex
Synonym
Oftan
Synonym
DEX
Synonym
Fluormethylprednisolone
Synonym
Minidex
Synonym
Dexium
Synonym
Dexaven
Synonym
Dexaratiopharm
Synonym
Ozurdex
Synonym
Dekort
Synonym
Dexmethsone
Synonym
Posurdex
Synonym
Diodex
Synonym
Dexone
Synonym
Etacortilen
Synonym
Surodex
Synonym
Gentalipos
Synonym
Delipos
Synonym
Decadron A
Synonym
NSC 34521
Synonym
Adexone
Synonym
Decacort
Synonym
Dexa-Mamallet
Synonym
Isopto-Dex
Synonym
Dexamonozon
Synonym
Fluormone
Synonym
Dexinoral
Synonym
Loverine
Synonym
Cortisumman
Synonym
Dexacortin
Synonym
Dexapos
Synonym
Dexafarma
Synonym
Dexacortal
Synonym
Deseronil
Synonym
Pet-Derm III
Synonym
Dinormon
Synonym
Aeroseb-Dex
Synonym
Dexa-sine
Synonym
Lokalison F
Synonym
Decalix
Synonym
Luxazone
Synonym
Dexonium
Synonym
Dexasone
Synonym
Aphthasolone
Synonym
Dexaltin
Synonym
Dexaprol
Synonym
Fluorocort
Synonym
HL-Dex
Synonym
Azium
Synonym
Dexapolcort
Synonym
Prednisolone F
Synonym
Visumetazone
Synonym
Dekacort
Synonym
Calonat
Synonym
Desameton
Synonym
Aphtasolon
Synonym
Dexalona
Synonym
Dexa-Scheroson
Synonym
Prednisolon F
Synonym
Dexason
Synonym
Dexamethasone alcohol
Synonym
Deltafluorene
Synonym
Superprednol
Synonym
Oradexon
Synonym
Millicorten
Synonym
Maxidex
Synonym
16α-Methyl-9α-fluoro-11β,17α,21-trihydroxypregna-1,4-diene-3,20-dione
Synonym
16α-Methyl-9α-fluoro-1,4-pregnadiene-11β,17α,21-triol-3,20-dione
Synonym
16α-Methyl-9α-fluoroprednisolone
Synonym
16α-Methyl-9α-fluoro-Δ1-hydrocortisone
Synonym
Hexadrol
Synonym
Hexadecadrol
Synonym
Gammacorten
Synonym
9α-Fluoro-11β,17α,21-trihydroxy-16α-methyl-1,4-pregnadiene-3,20-dione
Synonym
9-Fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
Synonym
9α-Fluoro-16α-methyl-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione
Synonym
9α-Fluoro-16α-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione
Synonym
9α-Fluoro-16α-methylprednisolone
Synonym
Dextelan
Synonym
Dexamethasone
Synonym
Dexameth
Synonym
Dexadeltone
Synonym
Dexa-Cortidelt
Synonym
Dexacort
Synonym
Desadrene
Synonym
Deronil
Synonym
Dergramin
Synonym
1-Dehydro-16α-methyl-9α-fluorohydrocortisone
Synonym
Decasone
Synonym
Decadron
Synonym
Decaderm
Synonym
Corsone
Synonym
MK 125
Synonym
(11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
Synonym
Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-
Synonym
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11β,16α)-
Synonym
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 392.4670000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 392.19990224799994 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 28 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 94.83 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.8957000000000002 | RDKit |
| molecular_mass | 392.47 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C32F)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=UREBDLICKHMUKA-CXSFZGCWSA-N None | Legacy Database |
| cas-melting-point | 262-264 °C None | Legacy Database |
| cas-name | Dexamethasone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 99.94440000000004 | RDKit |