Products for Research Use Only

Fluperolone acetate

CAT: 0013-GTR19194768-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194768-02Size:50 mg
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Description
Fluperolone acetate is a synthetic glucocorticoid used in research to study corticosteroid receptor signaling and anti-inflammatory mechanisms. It is applied in both in vitro cellular assays and in vivo models investigating immune response, inflammation, and adrenal cortex hormone pathways.
CAS Number
2119-75-7
Field of Research
Pharmacology & Drug Discovery
Smiles
F[C@@]12[C@] ([C@]3 ([C@] (C) (C[C@@H]1O) [C@] (C ([C@@H] (OC (C) =O) C) =O) (O) CC3) [H]) (CCC=4[C@]2 (C) C=CC (=O) C4) [H]
Molecular Formula
C24H31FO6
Molecular Weight
434.50
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fluperolone Acetate

Fluperolone is a 20-oxo steroid.

CAS Number2119-75-7
PubChem CID66257
IUPAC Name[(2S)-1-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-oxopropan-2-yl] acetate
Molecular FormulaC24H31FO6
Molecular Weight434.5
XLogP1.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity910
SMILES
C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O)OC(=O)C
InChI
InChI=1S/C24H31FO6/c1-13(31-14(2)26)20(29)23(30)10-8-17-18-6-5-15-11-16(27)7-9-21(15,3)24(18,25)19(28)12-22(17,23)4/h7,9,11,13,17-19,28,30H,5-6,8,10,12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1
InChIKey
HHPZZKDXAFJLOH-QZIXMDIESA-N
Chemical Structure
2D Structure
2D structure of Fluperolone Acetate
CAS: 2119-75-7
CID: 66257
Formula: C24H31FO6
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass434.21046687
Monoisotopic Mass434.21046687
Topological Polar Surface Area101 Ų
Heavy Atom Count31
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes