PREDNISOLONE SODIUM PHOSPHATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1973)
Entry Type: Small molecule
Molecule Category: Salt
UNII: IV021NXA9J
Parent Compound: PREDNISOLONE

Structure
InChI Key VJZLQIPZNBPASX-OJJGEMKLSA-L
Smile C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C21H29O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27Na2O8P
Molecular Weight 484.39
AlogP 1.67
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 141.36
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 7.126
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -1.34-22.06

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis, Relapsing-Remitting 2 D020529 ClinicalTrials
Acanthamoeba Keratitis 2 D015823 ClinicalTrials
Otitis Media with Effusion 1 D010034 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Infections and infestations
14.03
General disorders and administration site conditions
8.54
Nervous system disorders
6.99
Vascular disorders
6.55
Respiratory, thoracic and mediastinal disorders
6.09
Gastrointestinal disorders
5.96
Musculoskeletal and connective tissue disorders
5.55
Injury, poisoning and procedural complications
5.29
Metabolism and nutrition disorders
5.02
Skin and subcutaneous tissue disorders
4.79
Blood and lymphatic system disorders
4.56
Psychiatric disorders
3.51
Investigations
3.33
Cardiac disorders
3.0
Immune system disorders
2.79
Renal and urinary disorders
2.59
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
2.48
Endocrine disorders
2.28
Eye disorders
2.12

Cross References

Resources Reference
ChEBI 8379
ChEMBL CHEMBL1201014
EPA CompTox DTXSID2047480
FDA SRS IV021NXA9J
PubChem 441409
SureChEMBL SCHEMBL23563
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