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Chemical structure of Tebufelone

GC70263

Tebufelone

Also known as 1-(3,5-ditert-butyl-4-hydroxyphenyl)hex-5-yn-1-one

Tebufelone (NE-11740), a nonsteroidal anti-inflammatory drug (NSAID), is a selective dual COX-2/5-lipoxygenase inhibitor

ChemicalCAS112018-00-5MW300.44FormulaC20H28O2
CAS number
112018-00-5
Molecular weight
300.44
Formula
C20H28O2
InChIKey
ZHXUEUKVDMWSKV-UHFFFAOYSA-N
Catalogue number
GC70263
Brand
GLPBIO
Computed properties PubChem CID 60542 · XLogP 5.5 · TPSA 37.3 Ų · H-bond donors 1
XLogP
5.5
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
22

SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CCCC#C

Computed descriptors from PubChem (CID 60542), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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