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Chemical structure of (R)-(+)-Etomoxir sodium salt

GC15104

(R)-(+)-Etomoxir sodium salt

Also known as sodium (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate

(R)-(+)-Etomoxir sodium salt(Etomoxir) is a small molecule developed for metabolic and cardiovascular disease that exhibits nanomolar potency toward CPT-1a and CPT-1b upon enzymatic conversion to the active inhibitor etomoxiryl CoA (IC50 = 0·01-0·70 µM)

ChemicalCAS828934-41-4MW320.74FormulaC15H18ClNaO4
CAS number
828934-41-4
Molecular weight
320.74
Formula
C15H18ClNaO4
Solubility
≥ 50mg/mL in DMSO，≥ 5mg/mL in H2O
InChIKey
RPACBEVZENYWOL-XFULWGLBSA-M
Catalogue number
GC15104
Brand
GLPBIO
Computed properties PubChem CID 57345784 · TPSA 61.9 Ų · H-bond donors 0 · H-bond acceptors 4
TPSA
61.9 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
21

SMILES C1[C@](O1)(CCCCCCOC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

Computed descriptors from PubChem (CID 57345784), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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