HYDROCORTISONE VALERATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 68717P8FUZ
EPA CompTox DTXSID9045633
Parent Compound: HYDROCORTISONE

Structure

InChI Key FZCHYNWYXKICIO-FZNHGJLXSA-N
Smiles CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H38O6
Molecular Weight 446.58
AlogP 3.52
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 100.9
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed DailyMed

Target Conservation

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

Cross References

Resources Reference
ChEBI 50865
ChEMBL CHEMBL1200562
DrugBank DB14544
DrugCentral 4504
FDA SRS 68717P8FUZ
PubChem 5282494
SureChEMBL SCHEMBL80603
ZINC ZINC000004213520
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