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Exisulind

CAT: 0127-BUP06388-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06388-05Size:100 mg
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CAS Number
59973-80-7
Synonyms
Sulindac sulfone, CP248
Purity
=95%
Smiles
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)(=O)=O

Chemical Information

Sulindac Sulfone

Sulindac sulfone is a sulfone metabolite of sulindac that inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. It inhibits the development and induces regression of premalignant adenomatous polyps. Lipoxygenase and Cox-2 inhibitor. It has a role as a cyclooxygenase 2 inhibitor, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor and an apoptosis inducer. It is a monocarboxylic acid, a sulfone and an organofluorine compound. It is functionally related to a sulindac.

CAS Number59973-80-7
PubChem CID5472495
IUPAC Name2-[(3Z)-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-MFOYZWKCSA-N
Chemical Structure
2D Structure
2D structure of Sulindac Sulfone
CAS: 59973-80-7
CID: 5472495
Formula: C20H17FO4S
MW: 372.4
Interactive 3D Structure
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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

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CatalogName
E7600-5mgExisulind

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