BETAMETHASONE BENZOATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 877K0XW47A
Parent Compound: BETAMETHASONE

Structure
InChI Key SOQJPQZCPBDOMF-YCUXZELOSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 135798
ChEMBL CHEMBL1200376
DrugCentral 351
EPA CompTox DTXSID2022670
FDA SRS 877K0XW47A
PubChem 5282492
SureChEMBL SCHEMBL49469
ZINC ZINC000004212134
CONTENTS