N,N-Bis-desethyl, N-Methyl Entacapone-d3

CAS: 1364322-41-7

Ref. TR-B415097

Product Information

• Name: N,N-Bis-desethyl, N-Methyl Entacapone-d3
• Synonyms: (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-methyl-2-propenamide-d3

Description

Applications N,N-Bis-desethyl, N-Methyl Entacapone-d3 is the isotope analog of N,N-Bis-desethyl, N-Methyl Entacapone which is an impurity of Entacapone (E558500). The (E)-Isomer of Entacapone which is a polymorphic form A. Peripherally acting inhibitor of catechol-O-methyl transferase (COMT), an enzyme involved in the metabolism of catecholamine neurotransmitters and related drugs. Antiparkinsonian.
References Karlsson, M., et al.: J. Pharm. Biomed. Anal., 10, 593 (1992), Nissinen, E., et al.: Arch. Pharmacol., 346, 262 (1992), Wikberg, T., et al.: Eur. J. Drug Metab. Pharmacokinet., 18, 359 (1993),

• Brand: TRC

Chemical properties

• Molecular weight: 266.23
• Formula: C₁₁H₆D₃N₃O₅
• Color/Form: Neat
• InChI: InChI=1S/C11H9N3O5/c1-13-11(17)7(5-12)2-6-3-8(14(18)19)10(16)9(15)4-6/h2-4,15-16H,1H3,(H,13,17)/b7-2+/i1D3
• InChI key: InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N
• SMILES: CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1