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Chemical structure of Sulindac sulfone

GC11721

Sulindac sulfone

Also known as 2-[6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid

Sulindac sulfone is an inactive metabolite of the nonsteroidal, anti-inflammatory agent sulindac

ChemicalCAS59864-04-9MW372.4FormulaC20H17FO4S
CAS number
59864-04-9
Molecular weight
372.4
Formula
C20H17FO4S
Solubility
≥ 9·53 mg/mL in DMSO with ultrasonic and warming, ≥ 3·83 mg/mL in EtOH with ultrasonic and warming
InChIKey
MVGSNCBCUWPVDA-UHFFFAOYSA-N
Catalogue number
GC11721
Brand
GLPBIO
Computed properties PubChem CID 114866 · XLogP 3.5 · TPSA 79.8 Ų · H-bond donors 1
XLogP
3.5
TPSA
79.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26

SMILES CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O

Computed descriptors from PubChem (CID 114866), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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