Chemistry:Prednisolone tebutate

Short description: Chemical compound

Prednisolone tebutate

Clinical data
Other names	Prednisolone 21-tert-butylacetate; Codelcortone TBA
Drug class	Corticosteroid; Glucocorticoid
Identifiers
IUPAC name [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3,3-dimethylbutanoate
CAS Number	7681-14-3
PubChem CID	93055
DrugBank	DB14632
ChemSpider	84007
UNII	1V7A1U282K
KEGG	D00982
ChEBI	CHEBI:8381
ChEMBL	ChEMBL1200909
Chemical and physical data
Formula	C27H38O6
Molar mass	458.595 g·mol−1
3D model (JSmol)	Interactive image
SMILES C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)CCC4=CC(=O)C=C[C@]34C)O
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 Key:HUMXXHTVHHLNRO-KAJVQRHHSA-N

Prednisolone tebutate is a synthetic glucocorticoid corticosteroid and a corticosteroid ester.