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Elesclomol Structure

Elesclomol

Chemical Properties

Density  1.313
storage temp.  Store at -20°C
solubility  insoluble in H2O; ≥20.15 mg/mL in DMSO; ≥5.68 mg/mL in EtOH with gentle warming and ultrasonic
form  solid
pka 7.99±0.70(Predicted)
color  Light yellow to yellow
InChI InChI=1S/C19H20N4O2S2/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25)
InChIKey BKJIXTWSNXCKJH-UHFFFAOYSA-N
SMILES C1=CC(C(=S)N(C)NC(=O)CC(=O)NN(C)C(=S)C2C=CC=CC=2)=CC=C1

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Usage And Synthesis

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