Loratadine ketone Structure

Loratadine ketone

Chemical Properties

Melting point 179-186°C
Boiling point 462.0±45.0 °C(Predicted)
Density  1.169±0.06 g/cm3(Predicted)
pka 8.18±0.10(Predicted)
InChI InChI=1S/C20H23ClN2O/c1-23-12-9-17(10-13-23)20(24)19-16(5-3-11-22-19)8-7-15-4-2-6-18(21)14-15/h2-6,11,14,17H,7-10,12-13H2,1H3
InChIKey YBWTYYOASANXND-UHFFFAOYSA-N
SMILES C(C1=NC=CC=C1CCC1=CC=CC(Cl)=C1)(C1CCN(C)CC1)=O
CAS DataBase Reference 130642-50-1(CAS DataBase Reference)

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