CORTISONE ACETATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1950)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 883WKN7W8X
Parent Compound: CORTISONE

Structure
InChI Key ITRJWOMZKQRYTA-RFZYENFJSA-N
Smile CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
InChI
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30O6
Molecular Weight 402.49
AlogP 2.56
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 97.74
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist ISBN
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 14000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 103

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Adrenal Hyperplasia, Congenital 4 D000312 ClinicalTrials
Angioedema 3 D000799 ClinicalTrials
Rotator Cuff Injuries 1 D000070636 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
19.92
Immune system disorders
16.16
Skin and subcutaneous tissue disorders
8.92
Psychiatric disorders
8.49
Nervous system disorders
7.53
Musculoskeletal and connective tissue disorders
7.05
Injury, poisoning and procedural complications
6.79
Eye disorders
4.51
Vascular disorders
3.82
Gastrointestinal disorders
3.54
Investigations
2.63
Respiratory, thoracic and mediastinal disorders
2.13

Cross References

Resources Reference
CAS NUMBER 50-04-4
ChEBI 3897
ChEMBL CHEMBL1650
DrugBank DB01380
DrugCentral 734
EPA CompTox DTXSID0022858
FDA SRS 883WKN7W8X
Human Metabolome Database HMDB0015459
KEGG C08173
PharmGKB PA449130
PubChem 5745
SureChEMBL SCHEMBL4501
ZINC ZINC000003875334
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