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Brequinar Structure

Brequinar

Chemical Properties

Melting point 355-357℃ (N,N-dimethylformamide water )
storage temp.  2-8°C
solubility  DMSO:25.9(Max Conc. mg/mL);70.0(Max Conc. mM)
form  powder to crystal
pka pKa 4.45(H2O t=RT I=0.10) (Uncertain)
color  White to Light yellow
InChI 1S/C23H15F2NO2.Na.H2O/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25;;/h2-12H,1H3,(H,27,28);;1H2/q;+1;/p-1
InChIKey IZXTTXFXRQGHKO-UHFFFAOYSA-M
SMILES O.[Na+].Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c3ccc(cc3)-c4ccccc4F
CAS DataBase Reference 96187-53-0

Safety Information

WGK Germany  WGK 3
HS Code  2933.49.7000
Storage Class 11 - Combustible Solids

Usage And Synthesis

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