DIFLUPREDNATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D07AC19
UNII S8A06QG2QE
EPA CompTox DTXSID0046773

Structure

InChI Key WYQPLTPSGFELIB-JTQPXKBDSA-N
Smiles CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H34F2O7
Molecular Weight 508.56
AlogP 3.52
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 106.97
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 31485
ChEMBL CHEMBL1201749
DrugBank DB06781
DrugCentral 3142
FDA SRS S8A06QG2QE
Human Metabolome Database HMDB0061149
Guide to Pharmacology 7474
KEGG C12695
PharmGKB PA165958405
PubChem 443936
SureChEMBL SCHEMBL4580
ZINC ZINC000004212945
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