1391051-99-2

Name Labetalol IMpurity A
CAS 1391051-99-2
Molecular Formula C19H23NO4
Molecular Weight 329.39
MOL File 1391051-99-2.mol
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Chemical Properties

Melting point  >172°C (dec.)
Boiling point  565.9±50.0 °C(Predicted)
density  1.231±0.06 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  DMSO (Slightly, Heated), Methanol (Slightly, Heated)
form  neat
pka 3.08±0.10(Predicted)
color  Pale Beige to Light Brown
Stability: Hygroscopic
InChI InChI=1S/C19H23NO4/c1-13(7-8-14-5-3-2-4-6-14)20-12-18(22)15-9-10-17(21)16(11-15)19(23)24/h2-6,9-11,13,18,20-22H,7-8,12H2,1H3,(H,23,24)
InChIKey DZBUYRWVQLOXQQ-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(C(O)CNC(C)CCC2=CC=CC=C2)=CC=C1O

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