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CAS 145195-63-7

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(Z)-Entacapone

Description:
(Z)-Entacapone is a chemical compound primarily used as a medication to treat Parkinson's disease, functioning as a catechol-O-methyltransferase (COMT) inhibitor. This compound enhances the effectiveness of levodopa by preventing its breakdown, thereby increasing its availability in the brain. The molecular structure of (Z)-Entacapone features a specific geometric configuration, indicated by the (Z) designation, which refers to the arrangement of substituents around a double bond. It is characterized by its ability to form hydrogen bonds due to the presence of hydroxyl groups, contributing to its solubility in polar solvents. The compound exhibits moderate lipophilicity, allowing it to cross biological membranes effectively. In terms of safety, (Z)-Entacapone has been associated with various side effects, including gastrointestinal disturbances and dyskinesia, which are important considerations in its therapeutic use. Overall, (Z)-Entacapone plays a significant role in the management of Parkinson's disease symptoms, improving patients' quality of life when used in conjunction with other dopaminergic therapies.
Formula:C14H15N3O5
InChI:InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5-
InChI key:InChIKey=JRURYQJSLYLRLN-YHYXMXQVSA-N
SMILES:C(=C(\C(N(CC)CC)=O)/C#N)\C1=CC(N(=O)=O)=C(O)C(O)=C1
Synonyms:
  • (2Z)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
  • (Z)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
  • (Z)-Entacapone
  • 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (2Z)-
  • 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (Z)-
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