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Nisona
CAS: 53-03-2 | C21H26O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
53-03-2
Molecular Formula:
C21H26O5
Molecular Weight:
358.43400000000014 g/mol
Names and Synonyms:
Nisona
Synonym
Prednisone
Synonym
Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-
Synonym
17,21-Dihydroxypregna-1,4-diene-3,11,20-trione
Synonym
Ancortone
Synonym
Bicortone
Synonym
Colisone
Synonym
Δ1-Cortisone
Synonym
Dacortin
Synonym
Decortancyl
Synonym
Decortisyl
Synonym
Δ1-Dehydrocortisone
Synonym
1-Dehydrocortisone
Synonym
Dekortin
Synonym
Delta E
Synonym
Delta-Cortelan
Synonym
Deltacortisone
Synonym
Deltacortone
Synonym
Deltasone
Synonym
Deltisone
Synonym
Deltra
Synonym
Di-Adreson
Synonym
17α,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione
Synonym
Encortone
Synonym
Enkorton
Synonym
Hostacortin
Synonym
Metacortandracin
Synonym
Meticorten
Synonym
Paracort
Synonym
Prednisone
Synonym
1,4-Pregnadiene-17α,21-diol-3,11,20-trione
Synonym
Supercortil
Synonym
Ultracorten
Synonym
Ultracortene
Synonym
Encorton
Synonym
1,2-Dehydrocortisone
Synonym
Dehydrocortisone
Synonym
Δ-Cortisone
Synonym
17,21-Dihydroxypregn-1,4-diene-3,11,20-trione
Synonym
NSC 10023
Synonym
Cortidelt
Synonym
Prednison
Synonym
Deltison
Synonym
Rectodelt
Synonym
Prednitone
Synonym
Me-Korti
Synonym
Prednicorm
Synonym
Cartancyl
Synonym
Uniplen
Synonym
Prednicort
Synonym
Liquid Pred
Synonym
Pehacort
Synonym
Adasone
Synonym
Drazone
Synonym
Apo-Prednisone
Synonym
Winpred
Synonym
Econosone
Synonym
Fernisone
Synonym
Delta-Dome
Synonym
Deltisona
Synonym
Panafcort
Synonym
Prednicot
Synonym
Deltacortene
Synonym
Dacorten
Synonym
Prednidib
Synonym
Sterapred
Synonym
Cordrol
Synonym
Prednicen M
Synonym
Panasol
Synonym
Predniment
Synonym
Cortan
Synonym
Dellacort
Synonym
Dellacort A
Synonym
Sone
Synonym
Orasone
Synonym
Delcortin
Synonym
Decortin
Synonym
Parmenison
Synonym
Pulmison
Synonym
Nurison
Synonym
Retrocortine
Synonym
Pronison
Synonym
Prednilonga
Synonym
17α,21-Dihydroxypregn-1,4-dien-3,11,20-trione
Synonym
Prednidone
Synonym
Identifiers:
SMILES:
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
InChI:
InChI=1S/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,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 |
|---|---|---|
| molecular_mass | 358.43 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=CC2(C(=C1)CCC3C2C(=O)CC4(C)C3CCC4(O)C(=O)CO)C None | Legacy Database |
| cas-inchi | InChI=1S/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=XOFYZVNMUHMLCC-ZPOLXVRWSA-N None | Legacy Database |
| cas-melting-point | 234 °C (decomp) None | Legacy Database |
| cas-name | Prednisone None | Legacy Database |
| LogP | 1.7658 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 358.43400000000014 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 358.1780239319999 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 | 2 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 | 91.67 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 94.04860000000005 | RDKit |