BETAMETHASONE BENZOATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 877K0XW47A
EPA CompTox DTXSID2022670
Parent Compound: BETAMETHASONE

Structure

InChI Key SOQJPQZCPBDOMF-YCUXZELOSA-N
Smiles C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccccc1)C(=O)CO
InChI
InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H33FO6
Molecular Weight 496.58
AlogP 3.76
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 100.9
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 36.0

Pharmacology

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

Target Conservation

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

Cross References

Resources Reference
ChEBI 135798
ChEMBL CHEMBL1200376
DrugCentral 351
FDA SRS 877K0XW47A
PubChem 5282492
SureChEMBL SCHEMBL49469
ZINC ZINC000004212134
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