TRIAMCINOLONE HEXACETONIDE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
UNII I7GT1U99Y9
EPA CompTox DTXSID0048634

Structure

InChI Key TZIZWYVVGLXXFV-FLRHRWPCSA-N
Smiles CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
InChI
InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H41FO7
Molecular Weight 532.65
AlogP 4.41
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 99.13
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST DailyMed Wikipedia

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 9670
ChEMBL CHEMBL1200878
DrugCentral 4976
FDA SRS I7GT1U99Y9
KEGG C08185
PubChem 21826
SureChEMBL SCHEMBL7543
ZINC ZINC000004097475
CONTENTS