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Nitecapone-[13C5]

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General Information
Catalog: BLP-005038
CAS: 1216671-39-4
Molecular Formula: C7[13C]5H11NO6
Molecular Weight: 270.18

Chemical Structure

Description	Nitecapone-[13C5] is the labelled analogue of Nitecapone. Nitecapone is a catechol-O-methyltransferase (COMT) inhibitor that has exhibited antioxidant and gastric protective properties. It is a potential therapeutic agent for Parkinson's disease.
Synonyms	Nitecapone-13C5; 3-[(3,4-Dihydroxy-5-nitrophenyl)methylene]-2,4-pentanedione-13C5
IUPAC Name	3-[(3,4-dihydroxy-5-nitrophenyl)methylidene](1,2,3,4,5-13C5)pentane-2,4-dione
Related CAS	116313-94-1 (unlabelled)
Canonical SMILES	CC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C
InChI	InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3/i1+1,2+1,6+1,7+1,9+1
InChI Key	UPMRZALMHVUCIN-VJQWXDCTSA-N
Melting Point	176-179°C
Purity	98%; ≥98% atom 13C
Solubility	Slightly soluble in DMSO, Methanol (Sonicated)
Appearance	Light Yellow to Dark Yellow Solid
Storage	Store at -20°C