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| IUPAC Name: | ethyl 2-cyano-2-hydroxyacetate |
| Description: | Ethyl 2-Cyano-2-hydroxyacetate is an intermediate for the synthesis of Convicine (C685095), which is a derivative of Vicine (V250005), a pyrimidine glycosides, a precursor of the aglycons divicine and isouramil which is main factors of favism. It is found in faba/fava bean. Also, it is derived from Ethyl Glyoxylate (E918550), which is used as a reagent in the synthesis of a new class of cinnamyl-triazole compounds which can be used as selective inhibitors of human aromatase (cytochrome P 450 19A1). |
| Molecular Weight: | 129.11 |
| Molecular Formula: | C5H7NO3 |
| Canonical SMILES: | CCOC(=O)C(C#N)O |
| InChI: | InChI=1S/C5H7NO3/c1-2-9-5(8)4(7)3-6/h4,7H,2H2,1H3 |
| InChI Key: | IYPJQABCLBFGTB-UHFFFAOYSA-N |
| References: | Rizzello, C. G., et al. Sci. Rep., 6, 32452 (2016); Pulkkinen, M., et al. Food Chem., 212, 10-19 (2016); McNulty, J., et al. Bioorg. Med. Chem. Lett., 24, 4586 (2014). |
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