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About This Item
Empirical Formula (Hill Notation):
C9H12N2O5
CAS Number:
Molecular Weight:
228.20
UNSPSC Code:
12352103
EC Number:
213-455-7
Beilstein/REAXYS Number:
24433
MDL number:
assay
≥99%
optical activity
[α]26/D +29.8°, c = 2 in H2O
mp
167-169 °C (lit.)
SMILES string
OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O
Application
Used to synthesize enzyme inhibitors, antiviral agents, and anticancer agents.
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Tetrahedron Letters, 35, 1149-1149 (1994)
Aldrichimica Acta, 20, 52-52 (1987)
Lourdes Santana et al.
Journal of medicinal chemistry, 51(21), 6740-6751 (2008-10-07)
The work provides a new model for the prediction of the MAO-A and -B inhibitor activity by the use of combined complex networks and QSAR methodologies. On the basis of the obtained model, we prepared and assayed 33 coumarin derivatives