FLUOROMETHOLONE ACETATE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 9I50C3I3OK
EPA CompTox DTXSID20191424
Parent Compound: FLUOROMETHOLONE

Structure

InChI Key YRFXGQHBPBMFHW-SBTZIJSASA-N
Smiles CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31FO5
Molecular Weight 418.51
AlogP 3.49
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 80.67
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST Expert PubMed DailyMed

Target Conservation

Protein: Glucocorticoid receptor
Description: Glucocorticoid receptor
Organism : Homo sapiens
P04150 ENSG00000113580

Cross References

Resources Reference
ChEBI 78354
ChEMBL CHEMBL1201064
DrugCentral 4647
FDA SRS 9I50C3I3OK
PubChem 240767
SureChEMBL SCHEMBL43184
ZINC ZINC000004213357
CONTENTS