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1243652-36-9

Name Cetirizine Glycerol Ester
CAS 1243652-36-9
Molecular Formula C24H31ClN2O5
MDL Number MFCD29045137
Molecular Weight 462.97
MOL File 1243652-36-9.mol
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Chemical Properties

Boiling point  617.4±50.0 °C(Predicted)
density  1.258±0.06 g/cm3(Predicted)
pka 13.09±0.20(Predicted)
InChI InChI=1S/C24H31ClN2O5/c25-21-8-6-20(7-9-21)24(19-4-2-1-3-5-19)27-12-10-26(11-13-27)14-15-31-18-23(30)32-17-22(29)16-28/h1-9,22,24,28-29H,10-18H2
InChIKey CWHUGUUOAIDFNQ-UHFFFAOYSA-N
SMILES C(OCC(O)CO)(=O)COCCN1CCN(C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2)CC1

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