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835654-68-7

Name Rotigotine Impurity 19 (Rotigotine EP Impurity F)
CAS 835654-68-7
Molecular Formula C21H27NO2S
Molecular Weight 357.51
MOL File 835654-68-7.mol
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Chemical Properties

Boiling point  498.3±45.0 °C(Predicted)
density  1.15±0.1 g/cm3(Predicted)
pka 8.76±0.20(Predicted)
InChI InChI=1S/C21H27NO2S/c1-3-12-22(13-11-19-7-5-14-25-19)18-9-10-20-17(15-18)6-4-8-21(20)24-16(2)23/h4-8,14,18H,3,9-13,15H2,1-2H3/t18-/m0/s1
InChIKey DSYJRJFDFYEVFD-SFHVURJKSA-N
SMILES C1(OC(=O)C)=C2C(C[C@@H](N(CCC)CCC3SC=CC=3)CC2)=CC=C1

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