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Tolcapone-[d7]

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Tolcapone-[d7]

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General Information
Catalog: BLP-008159
Molecular Formula: C14H4D7NO5
Molecular Weight: 280.28

Chemical Structure

Description	An isotope labelled form of Tolcapone. Tolcapone is a nitrocatechol-type inhibitor of the enzyme catechol-O-methyltransferase. It can be used to treat Parkinson's disease.
Synonyms	5-[4-(D3)methyl(D4)benzoyl]-3-nitrobenzene-1,2-diol
IUPAC Name	(3,4-dihydroxy-5-nitrophenyl)-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]methanone
Related CAS	134308-13-7 (unlabelled)
Canonical SMILES	CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
InChI	InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3/i1D3,2D,3D,4D,5D
InChI Key	MIQPIUSUKVNLNT-AAYPNNLASA-N
Purity	95% by HPLC; 98% atom D