brequinar sodium

CAS: 96201-88-6

Formula: C23H14F2NNaO2

SMILES: [Na+].CC1=C(N=C2C=CC(F)=CC2=C1C([O-])=O)C1=CC=C(C=C1)C1=CC=CC=C1F

IUPAC: sodium 6-fluoro-2-{2'-fluoro-[1,1'-biphenyl]-4-yl}-3-methylquinoline-4-carboxylate

InChI: InChI=1S/C23H15F2NO2.Na/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);/q;+1/p-1

Composition: C (69.52%), H (3.55%), F (9.56%), N (3.53%), Na (5.79%), O (8.05%)

Molar Mass: 397.357

Atom Count: 43

Heavy Atom Count: 29