Products for Research Use Only

Isoflupredone (Standard)

CAT: 0804-HY-132269RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-132269RSize:1 Each
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Description
Isoflupredone (Standard) is the analytical standard of Isoflupredone. This product is intended for research and analytical applications. Isoflupredone belongs to the class of corticosteroids and exerts its effect by binding to glucocorticoid and mineralocorticoid receptors of animals, such as horses. Isoflupredone can be used in wide range of conditions, such as infection and inflammatory diseases[1].
CAS Number
338-95-4
UNSPSC
12352211
Target
Glucocorticoid Receptor; Reference Standards
Type
Reference Standards
Related Pathways
Immunology/Inflammation; Others; Vitamin D Related/Nuclear Receptor
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/isoflupredone-standard.html
Smiles
F[C@@]12[C@](CCC([C@@]2(C=C3)C)=CC3=O)([H])[C@@]4([H])[C@](C[C@@H]1O)([C@](O)(CC4)C(CO)=O)C
Molecular Formula
C21H27FO5
Molecular Weight
378.43
References & Citations
[1]Picandet V, et al. Comparison of efficacy and tolerability of isoflupredone and dexamethasone in the treatment of horses affected with recurrent airway obstruction ('heaves') . Equine Vet J. 2003;35 (4) :419-424.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Isoflupredone

9-Fluoroprednisolone is a 21-hydroxy steroid.

CAS Number338-95-4
PubChem CID127516
IUPAC Name(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
Molecular FormulaC21H27FO5
Molecular Weight378.4
XLogP1.5
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity775
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
InChI
InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
InChIKey
WAIJIHDWAKJCBX-BULBTXNYSA-N
Chemical Structure
2D Structure
2D structure of Isoflupredone
CAS: 338-95-4
CID: 127516
Formula: C21H27FO5
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass378.18425212
Monoisotopic Mass378.18425212
Topological Polar Surface Area94.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity775
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes