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Exisulind

CAT: 1568-C04293Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C04293Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59864-04-9
SKU
C04293-5mg
Additionnal Information
Exisulind is an inactive metabolite of the nonsteroidal, anti-inflammatory agent sulindac. Exisulind inhibits aldose reductase with an IC50 of 367 nM in vitro and may contribute to the beneficial pharmacological effects of sulindac on type 2 diabetic complications.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

(Z)-5-Fluoro-2-methyl-1-[p-(methylsulfonyl)benzylidene]indene-3-acetic acid
CAS Number59864-04-9
PubChem CID6158261
IUPAC Name2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
Molecular FormulaC20H17FO4S
Molecular Weight372.4
XLogP3.5
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity723
SMILES
CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O
InChI
InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
InChIKey
MVGSNCBCUWPVDA-RQZCQDPDSA-N
Chemical Structure
2D Structure
2D structure of (Z)-5-Fluoro-2-methyl-1-[p-(methylsulfonyl)benzylidene]indene-3-acetic acid
CAS: 59864-04-9
CID: 6158261
Formula: C20H17FO4S
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass372.08315835
Monoisotopic Mass372.08315835
Topological Polar Surface Area79.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E7600-5mgExisulind

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