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| | Entacapone EP IMpurity I Basic information |
| Product Name: | Entacapone EP IMpurity I | | Synonyms: | Entacapone EP IMpurity I;Entacapone Impurity 25(Entacapone EP Impurity I);Entacapone Impurity 9（Entacapone EP Impurity I）;propyl (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate;2-Propenoic acid, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-, propyl ester, (2E)-;Entacapone Impurity 9（Entacapone EP Impurity A）;Entacapen impurity I;Propyl (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate | | CAS: | 1364322-42-8 | | MF: | C13H12N2O6 | | MW: | 292.24 | | EINECS: | | | Product Categories: | | | Mol File: | 1364322-42-8.mol |  |
| | Entacapone EP IMpurity I Chemical Properties |
| Boiling point | 465.4±45.0 °C(Predicted) | | density | 1.448±0.06 g/cm3(Predicted) | | pka | 4.96±0.50(Predicted) | | InChI | InChI=1S/C13H12N2O6/c1-2-3-21-13(18)9(7-14)4-8-5-10(15(19)20)12(17)11(16)6-8/h4-6,16-17H,2-3H2,1H3/b9-4+ | | InChIKey | FKCZGPKFDJMUSV-RUDMXATFSA-N | | SMILES | C(OCCC)(=O)/C(/C#N)=C/C1=CC([N+]([O-])=O)=C(O)C(O)=C1 |
| | Entacapone EP IMpurity I Usage And Synthesis |
| Uses | Isopropyl (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate is an impurity of Entacapone (E558500), a peripherally acting inhibitor of catechol-O-methyl transferase (COMT), an enzyme involved in the metabolism of catecholamine neurotransmitters and related drugs. Antiparkinsonian. |
| | Entacapone EP IMpurity I Preparation Products And Raw materials |
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