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Chemical structure of Desisobutyryl-ciclesonide

GC35843

Desisobutyryl-ciclesonide

Also known as (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

Desisobutyryl-ciclesonide is the active metabolite of Ciclesonide

ChemicalCAS161115-59-9MW470.6FormulaC28H38O6
CAS number
161115-59-9
Molecular weight
470.6
Formula
C28H38O6
Solubility
DMSO： ≥ 50 mg/mL (106·25 mM)
InChIKey
OXPLANUPKBHPMS-ZXBNPROVSA-N
Catalogue number
GC35843
Brand
GLPBIO
Computed properties PubChem CID 6918281 · XLogP 3.7 · TPSA 93.1 Ų · H-bond donors 2
XLogP
3.7
TPSA
93.1 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
34

SMILES C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O

Computed descriptors from PubChem (CID 6918281), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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