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Chemical structure of DHMEQ racemate (rel-DHMEQ)

GC33150

DHMEQ racemate (rel-DHMEQ)

Also known as 2-hydroxy-N-[(1S,2S,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide

DHMEQ racemate (rel-DHMEQ) is a NF-κB inhibitor· DHMEQ racemate (rel-DHMEQ) is less active than (-)-DHMEQ

ChemicalCAS287194-38-1MW261.23FormulaC13H11NO5
CAS number
287194-38-1
Molecular weight
261.23
Formula
C13H11NO5
Solubility
DMSO : ≥ 32 mg/mL (122·50 mM)
InChIKey
IUOMATKBBPCLFR-TUAOUCFPSA-N
Catalogue number
GC33150
Brand
GLPBIO
Computed properties PubChem CID 9881652 · XLogP 0 · TPSA 99.2 Ų · H-bond donors 3
XLogP
0
TPSA
99.2 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19

SMILES C1=CC=C(C(=C1)C(=O)NC2=CC(=O)[C@@H]3[C@H]([C@H]2O)O3)O

Computed descriptors from PubChem (CID 9881652), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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