triamcinolone acetonide

Ligand id: 2867

Name: triamcinolone acetonide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 93.06
Molecular weight 434.21
XLogP 1.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Synonyms
Zilretta®
Comments
Triamcinolone is a corticosteroid type anti-inflammatory drug. The approved drug triamcinolone often contains this formulation of the compound. The hexacetonide, furetonide and benetonide forms all have individual INNs.
Database Links
BindingDB Ligand 44577
CAS Registry No. 76-25-5 (source: Scifinder)
ChEBI CHEBI:71418
ChEMBL Ligand CHEMBL1504
GtoPdb PubChem SID 135651277
NURSA Ligand 10.1621/MZYZDF1U4V
PubChem CID 6436
RCSB PDB Ligand 1TA
Search Google for chemical match using the InChIKey YNDXUCZADRHECN-JNQJZLCISA-N
Search Google for chemicals with the same backbone YNDXUCZADRHECN
Search UniChem for chemical match using the InChIKey YNDXUCZADRHECN-JNQJZLCISA-N
Search UniChem for chemicals with the same backbone YNDXUCZADRHECN
Wikipedia Triamcinolone_acetonide