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3-O-Methyl Tolcapone-[d4]

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General Information
Catalog: BLP-002785
Molecular Formula: C15H9D4NO5
Molecular Weight: 291.29

Chemical Structure

Description	3-O-Methyl Tolcapone-[d4] is the labelled analogue of 3-O-Methyl Tolcapone. 3-O-Methyl Tolcapone is one of the impurities of Tolcapone, which is a COMT inhibitor and has been found to be active in antiparkinsonian studies.
Synonyms	3-O-Methyl Tolcapone D4; (4-Hydroxy-3-methoxy-5-nitrophenyl)(4-methylphenyl)methanone-d4; 4-Hydroxy-3-methoxy-4'-methyl-5-nitrobenzophenone-d4
IUPAC Name	(4-hydroxy-3-methoxy-5-nitrophenyl)-(2,3,5,6-tetradeuterio-4-methylphenyl)methanone
Related CAS	134612-80-9 (unlabelled)
Canonical SMILES	CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]
InChI	InChI=1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3/i3D,4D,5D,6D
InChI Key	VCNSNEJUGBEWTA-LNFUJOGGSA-N
Melting Point	> 109 °C (dec.)
Purity	98%; ≥ 98% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Yellow Solid
Storage	2-8 °C