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9-keto Fluprostenol

CAT: 0013-GTR19232732-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232732-01Size:10 mg
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Description
9-Keto Fluprostenol is a chemically modified prostaglandin E2 analog derived from Fluprostenol, exhibiting enhanced stability and potency as a potential EP receptor agonist. It is a research tool used in vitro and in vivo to study prostanoid receptor signaling, inflammation, and smooth muscle physiology.
CAS Number
156406-33-6
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
O[C@@H] (COc1cccc (c1) C (F) (F) F) \C=C\[C@H]1[C@H] (O) CC (=O) [C@@H]1C\C=C/CCCC (O) =O
Molecular Formula
C23H27F3O6
Molecular Weight
456.458
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

9-keto Fluprostenol
CAS Number156406-33-6
PubChem CID35023380
IUPAC Name(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Molecular FormulaC23H27F3O6
Molecular Weight456.5
XLogP3
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity675
SMILES
C1[C@H]([C@@H]([C@H](C1=O)C/C=C\CCCC(=O)O)/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O
InChI
InChI=1S/C23H27F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-19,21,27,29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,21-/m1/s1
InChIKey
WWMXHYUXIKWXSR-AAHOZRAYSA-N
Chemical Structure
2D Structure
2D structure of 9-keto Fluprostenol
CAS: 156406-33-6
CID: 35023380
Formula: C23H27F3O6
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass456.17597306
Monoisotopic Mass456.17597306
Topological Polar Surface Area104 Ų
Heavy Atom Count32
Formal Charge0
Complexity675
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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