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Molecule
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 Mass
- 360.45 g/mol
Identifiers
CAS Registry Number
50-24-8
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 Key
OIGNJSKKLXVSLS-VWUMJDOOSA-N
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
Names and Synonyms
- Prednisolone Common Name
- Preflam Synonym
- Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (11β)- Synonym
- Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy- Synonym
- (11β)-11,17,21-Trihydroxypregna-1,4-diene-3,20-dione Synonym
- Codelcortone Synonym
- Co-Hydeltra Synonym
- Δ1-Cortisol Synonym
- Decortin H Synonym
- Δ1-Dehydrocortisol Synonym
- Δ1-Dehydrohydrocortisone Synonym
- 1-Dehydrohydrocortisone Synonym
- Delta F Synonym
- Delta-Cortef Synonym
- Deltacortenol Synonym
- Deltacortril Synonym
- Delta-stab Synonym
- Di-Adreson F Synonym
- Dicortol Synonym
- Fernisolone Synonym
- Hostacortin H Synonym
- Hydeltra Synonym
- Hydeltrone Synonym
- Δ1-Hydrocortisone Synonym
- Hydrodeltalone Synonym
- Hydrodeltisone Synonym
- Hydroretrocortin Synonym
- Metacortandralone Synonym
- Meticortelone Synonym
- Meti-Derm Synonym
- Paracortol Synonym
- Precortancyl Synonym
- Precortisyl Synonym
- Predne-Dome Synonym
- Prednisolone Synonym
- Predonin Synonym
- Predonine Synonym
- 1,4-Pregnadiene-3,20-dione-11β,17α,21-triol Synonym
- 1,4-Pregnadiene-11β,17α,21-triol-3,20-dione Synonym
- Prenolone Synonym
- Scherisolon Synonym
- Sterane Synonym
- Sterolone Synonym
- 11β,17α,21-Trihydroxypregna-1,4-diene-3,20-dione Synonym
- 11β,17,21-Trihydroxypregna-1,4-diene-3,20-dione Synonym
- Ulacort Synonym
- Ultracortene H Synonym
- Deltahydrocortisone Synonym
- Eazolin D Synonym
- Donisolone Synonym
- 1,2-Dehydrohydrocortisone Synonym
- Ultracorten H Synonym
- Steran Synonym
- Delta-Ef-Cortelan Synonym
- Deltisilone Synonym
- Prednelan Synonym
- Supercortisol Synonym
- Precortalon Synonym
- Delcortol Synonym
- Panafcortelone Synonym
- Klismacort Synonym
- Decaprednil Synonym
- Cortalone Synonym
- Precortilon Synonym
- Deltacortril Enteric Synonym
- NSC 9120 Synonym
- Predniretard Synonym
- Prednicen Synonym
- Predni-Dome Synonym
- Flamasone Synonym
- Hydroretrocortine Synonym
- Solone Synonym
- Deltasolone Synonym
- NSC 9900 Synonym
- Prelone Synonym
- Aprednislon Synonym
- Vetsolone Synonym
- Prednicare Synonym
- Prednisolona Syntex Synonym
- Millipred Synonym
- Equisolon Synonym
- Decortin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.45 g/mol | CAS Common Chemistry |
| 360.4500000000002 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C32)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=OIGNJSKKLXVSLS-VWUMJDOOSA-N | CAS Common Chemistry |
| Melting Point | 235 °C (decomp) | CAS Common Chemistry |
| Name | Prednisolone | CAS Common Chemistry |
| Heavy Atom Count | 26 | 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 | 1.5575999999999999 | RDKit |
| 1.5576 | RDKit | |
| Molar Refractivity | 95.04840000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 360.1936739959999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 360.45 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H28O5.
