PREDNISOLONE TEBUTATE

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Trade Names:
Synonyms:
Status: Approved (1956)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 1V7A1U282K
Parent Compound: PREDNISOLONE

Structure
InChI Key HUMXXHTVHHLNRO-KAJVQRHHSA-N
Smile CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H38O6
Molecular Weight 458.6
AlogP 3.54
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 0.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist ISBN

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
CAS NUMBER 7681-14-3
ChEBI 8381
ChEMBL CHEMBL1200909
DrugBank DB14632
DrugCentral 2251
EPA CompTox DTXSID8023505
FDA SRS 1V7A1U282K
KEGG C08182
PubChem 93055
SureChEMBL SCHEMBL40845
ZINC ZINC000004097474
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