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Tolcapone-[d7]

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Application Area

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

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Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Tolcapone-[d7]

Name: Tolcapone-[d7]
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-008159
CAS: 2749285-04-7
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	Tolcapone-d7; 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