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Chemical structure of Isoflupredone

GC49634

Isoflupredone

Also known as (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Isoflupredone belongs to the class of corticosteroids and exerts its effect by binding to glucocorticoid and mineralocorticoid receptors of animals, such as horses

ChemicalCAS338-95-4MW378.4FormulaC21H27FO5
CAS number
338-95-4
Molecular weight
378.4
Formula
C21H27FO5
Solubility
DMSO ： 25 mg/mL (66·06 mM; ultrasonic and warming and heat to 60°C)
InChIKey
WAIJIHDWAKJCBX-BULBTXNYSA-N
Catalogue number
GC49634
Brand
GLPBIO
Computed properties PubChem CID 127516 · XLogP 1.5 · TPSA 94.8 Ų · H-bond donors 3
XLogP
1.5
TPSA
94.8 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
27

SMILES C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)F)O

Computed descriptors from PubChem (CID 127516), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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