prednisone   

GtoPdb Ligand ID: 7096

Synonyms: Lodotra® | Sterapred®
prednisone is an approved drug (FDA (1955))
Comment: Prednisone is a corticosteroid.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 91.67
Molecular weight 358.18
XLogP 0.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C
Isomeric SMILES OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
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
InChI Key XOFYZVNMUHMLCC-ZPOLXVRWSA-N
Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1955))
IUPAC Name
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
International Nonproprietary Names
INN number INN
536 prednisone
Synonyms
Lodotra® | Sterapred®
Database Links
CAS Registry No. 53-03-2
ChEMBL Ligand CHEMBL635
DrugBank Ligand DB00635
DrugCentral Ligand 2253
GtoPdb PubChem SID 178103674
Immunopaedia Search prednisone
NURSA Ligand 10.1621/4P236M7QYY
PubChem CID 5865
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Wikipedia Prednisone