1816331-66-4

Name GSK864
CAS 1816331-66-4
Molecular Formula C30H31FN6O4
MDL Number MFCD30478507
Molecular Weight 558.6
MOL File 1816331-66-4.mol
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Chemical Properties

Boiling point  782.9±60.0 °C(Predicted)
density  1.37±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMF:20.0(Max Conc. mg/mL);35.8(Max Conc. mM)
DMSO:60.0(Max Conc. mg/mL);107.41(Max Conc. mM)
Ethanol:20.0(Max Conc. mg/mL);35.8(Max Conc. mM)
Ethanol:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);0.9(Max Conc. mM)
form  powder
pka 11.73±0.70(Predicted)
color  white to beige
Optical Rotation [α]/D -66 to -76°, c = 0.5 in methanol
InChIKey DUCNNEYLFOQFSW-PMERELPUSA-N
SMILES C1N(C(C2=CC=CN2)=O)C[C@](C)(C(N)=O)C2N(CC3=CC=C(F)C=C3)N=C(C(NC3=CC(C)=C(OC)C(C)=C3)=O)C1=2

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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