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| | CIS-ENTACAPONE Basic information |
| Product Name: | CIS-ENTACAPONE | | Synonyms: | (2Z)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide;(Z)-Entacapone;CIS-ENTACAPONE;Entacapone impurity A -I;(Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide;Entacapone Impurity 17(Entacapone EP Impurity A);Entacapone Related Compound A (25 mg) ((Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide);Entacapone EP IMpurity A | | CAS: | 145195-63-7 | | MF: | C14H15N3O5 | | MW: | 305.29 | | EINECS: | | | Product Categories: | Intermediates & Fine Chemicals;Pharmaceuticals | | Mol File: | 145195-63-7.mol |  |
| | CIS-ENTACAPONE Chemical Properties |
| Melting point | 142-144°C | | Boiling point | 526.6±50.0 °C(Predicted) | | density | 1.392±0.06 g/cm3(Predicted) | | storage temp. | Hygroscopic, -20°C Freezer, Under Inert Atmosphere | | solubility | Dichloromethane (Slightly), Methanol (Slightly) | | pka | 5.15±0.50(Predicted) | | color | Yellow to Orange | | Major Application | pharmaceutical | | 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- | | InChIKey | JRURYQJSLYLRLN-YHYXMXQVSA-N | | SMILES | [N+](=O)([O-])c1c(c(cc(c1)\C=C(/C(=O)N(CC)CC)\C#N)O)O |
| WGK Germany | WGK 3 | | HS Code | 2926900005 | | Storage Class | 11 - Combustible Solids |
| | CIS-ENTACAPONE Usage And Synthesis |
| Description | cis-Entacapone is a metabolite of the catechol-O-methyltransferase (COMT) inhibitor entacapone . It is also a potential impurity found in commercial preparations of entacapone and a degradant of entacapone formed by UV light exposure. | | Chemical Properties | Orange Solid | | Uses | cis-Entacapone (Entacapone EP Impurity A) is the (Z)-Isomer of Entacapone polymorphic form B. Antiparkinsonian. | | Definition | ChEBI: 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide is a hydroxycinnamic acid. | | References | [1] T WIKBERG. Identification of major metabolites of the catechol-O-methyltransferase inhibitor entacapone in rats and humans.[J]. Drug Metabolism and Disposition, 1993, 21 1: 81-92.
[2] S. SARAVANAN R S. METHOD DEVELOPMENT AND VALIDATION FOR DETERMINATION OF IMPURITIES IN DEFERASIROX BY RP-HPLC TECHNIQUE[J]. Journal of Drug Delivery and Therapeutics, 2012, 34 1. DOI: 10.22270/jddt.v2i3.128
[3] NADEJDA SOUKHOVA. Development of characterization methods for entacapone in a pharmaceutical bulk[J]. Journal of pharmaceutical and biomedical analysis, 2011, 54 4: Pages 860-865. DOI: 10.1016/j.jpba.2010.10.019 |
| | CIS-ENTACAPONE Preparation Products And Raw materials |
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