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PNU 100480 Structure

PNU 100480

Chemical Properties

Melting point 186-187°C
Boiling point 609.0±55.0 °C(Predicted)
Density  1.321±0.06 g/cm3(Predicted)
storage temp.  room temp
solubility  DMSO: soluble20mg/mL, clear
pka 15.53±0.46(Predicted)
form  powder
color  white to beige
optical activity [α]/D -8 to -12°, c = 1 in chloroform-d
InChI 1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKey FNDDDNOJWPQCBZ-ZDUSSCGKSA-N
SMILES FC1=CC(N(C[C@H](CNC(C)=O)O2)C2=O)=CC=C1N3CCSCC3

Safety Information

Hazard Codes  Xn
Risk Statements  22
Safety Statements  45
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Usage And Synthesis

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