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®
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
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.