Desonide
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular Identity
Desonide
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
PubChem CID: 5311066
Desonide is triamcinolone acetonide with hydrogen instead of the fluorine substituent at position 9. A corticosteroid anti-inflammatory, it is used topically as a cream, ointment or lotion for the treatment of various skin disorders. It has a role as an anti-inflammatory drug. It is a primary alpha-hydroxy ketone, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a corticosteroid, a cyclic ketal and a 3-oxo-Delta(1),Delta(4)-steroid.
2D Structure
Properties
C24H32O6
Molecular Formula
416.50
Molecular Weight
g/mol
416.2199
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
93.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
873
Complexity
SMILES
Canonical SMILES
SMILES: CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)CIsomeric SMILES
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)OSynonyms(20)
DESONIDE638-94-8PrednacinoloneDesOwenDesonidaDesonateDesonidumVerdesoDesocortD-2083DTXSID7046756desfluorotriamcinolone acetonide16alpha-hydroxyprednisole-16,17-acetonideD208316alpha,17alpha-isopropylidenedioxyprednisolone
Data from PubChem (NCBI)
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Trials and conditions connected to Desonide
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