Brequinar , 10mMinDMSO , 96187-53-0

CAS NO.：96187-53-0

Empirical Formula: C23H15F2NO2

Molecular Weight: 375.37

MDL number: MFCD00866437

PRODUCT 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

Description and Uses

Antineoplastic.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P305+P351+P338
• WGK Germany: WGK 3
• HS Code: 2933.49.7000
• Storage Class: 11 - Combustible Solids