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Prednisolone
CAS: 50-24-8 | C21H28O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-24-8
Molecular Formula:
C21H28O5
Molecular Weight:
360.4500000000002 g/mol
Names and Synonyms:
Prednisolone
Common Name
Decortin
Synonym
Equisolon
Synonym
Millipred
Synonym
Prednisolona Syntex
Synonym
Prednicare
Synonym
Vetsolone
Synonym
Aprednislon
Synonym
Prelone
Synonym
NSC 9900
Synonym
Deltasolone
Synonym
Solone
Synonym
Hydroretrocortine
Synonym
Flamasone
Synonym
Predni-Dome
Synonym
Prednicen
Synonym
Predniretard
Synonym
NSC 9120
Synonym
Deltacortril Enteric
Synonym
Precortilon
Synonym
Cortalone
Synonym
Decaprednil
Synonym
Klismacort
Synonym
Panafcortelone
Synonym
Delcortol
Synonym
Precortalon
Synonym
Supercortisol
Synonym
Prednelan
Synonym
Deltisilone
Synonym
Delta-Ef-Cortelan
Synonym
Steran
Synonym
Ultracorten H
Synonym
1,2-Dehydrohydrocortisone
Synonym
Donisolone
Synonym
Eazolin D
Synonym
Deltahydrocortisone
Synonym
Ultracortene H
Synonym
Ulacort
Synonym
11β,17,21-Trihydroxypregna-1,4-diene-3,20-dione
Synonym
11β,17α,21-Trihydroxypregna-1,4-diene-3,20-dione
Synonym
Sterolone
Synonym
Sterane
Synonym
Scherisolon
Synonym
Prenolone
Synonym
1,4-Pregnadiene-11β,17α,21-triol-3,20-dione
Synonym
1,4-Pregnadiene-3,20-dione-11β,17α,21-triol
Synonym
Predonine
Synonym
Predonin
Synonym
Prednisolone
Synonym
Predne-Dome
Synonym
Precortisyl
Synonym
Precortancyl
Synonym
Paracortol
Synonym
Meti-Derm
Synonym
Meticortelone
Synonym
Metacortandralone
Synonym
Hydroretrocortin
Synonym
Hydrodeltisone
Synonym
Hydrodeltalone
Synonym
Δ1-Hydrocortisone
Synonym
Hydeltrone
Synonym
Hydeltra
Synonym
Hostacortin H
Synonym
Fernisolone
Synonym
Dicortol
Synonym
Di-Adreson F
Synonym
Delta-stab
Synonym
Deltacortril
Synonym
Deltacortenol
Synonym
Delta-Cortef
Synonym
Delta F
Synonym
1-Dehydrohydrocortisone
Synonym
Δ1-Dehydrohydrocortisone
Synonym
Δ1-Dehydrocortisol
Synonym
Decortin H
Synonym
Δ1-Cortisol
Synonym
Co-Hydeltra
Synonym
Codelcortone
Synonym
(11β)-11,17,21-Trihydroxypregna-1,4-diene-3,20-dione
Synonym
Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-
Synonym
Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (11β)-
Synonym
Preflam
Synonym
Identifiers:
SMILES:
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
InChI:
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-melting-point | 235 °C (decomp) None | Legacy Database |
| cas-name | Prednisolone None | Legacy Database |
| LogP | 1.5575999999999999 | RDKit |
| molecular_mass | 360.45 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C32)C None | Legacy Database |
| cas-inchi | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=OIGNJSKKLXVSLS-VWUMJDOOSA-N None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 360.4500000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 360.1936739959999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 26 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 95.04840000000004 | RDKit |