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mono-Methyl-[13C,d3] fumarate

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General Information
Catalog: BLP-001055
Molecular Formula: C4[13C]H3D3O4
Molecular Weight: 134.11

Chemical Structure

Description	mono-Methyl-[13C,d3] fumarate is labelled mono-Methyl fumarate. Monomethyl Fumarate is one of the most bioactive anti-psoriatic fumaric acid ester metabolite. It is potent nicotinic acid receptor agonist. It has also been shown to selectively stimulate of T helper 2 cytokine response.
IUPAC Name	(E)-4-oxo-4-(trideuterio(1-13C)methoxy)but-2-enoic acid
Related CAS	2756-87-8 (unlabelled)
Canonical SMILES	COC(=O)C=CC(=O)O
InChI	InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+/i1+1D3
InChI Key	NKHAVTQWNUWKEO-MDSLSSOTSA-N
Purity	97% by CP; 99% atom 13C