113806-06-7

Name (E)-Olopatadine
CAS 113806-06-7
Molecular Formula C21H23NO3
MDL Number MFCD32205270
Molecular Weight 337.41
MOL File 113806-06-7.mol
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Chemical Properties

Boiling point  523.0±50.0 °C(Predicted)
density  1?+-.0.06 g/cm3(Predicted)
pka 4.29±0.10(Predicted)
InChI InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8+
InChIKey JBIMVDZLSHOPLA-QGMBQPNBSA-N
SMILES O1CC2=CC=CC=C2/C(=C\CCN(C)C)/C2=CC(CC(O)=O)=CC=C12

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