Analyte Name

Lumefantrine beta-D-Glucuronide

Molecular Formula

C36 H40 Cl3 N O7

Molecular Weight

705.064

Accurate Mass

703.187

SMILES

CCCCN(CCCC)CC(O[C@@H]1O[C@@H]([C@@H](O)C(O)C1O)C(=O)O)c2cc(Cl)cc3\C(=C/c4ccc(Cl)cc4)\c5cc(Cl)ccc5c23

InChI

InChI=1S/C36H40Cl3NO7/c1-3-5-13-40(14-6-4-2)19-29(46-36-33(43)31(41)32(42)34(47-36)35(44)45)28-18-23(39)17-27-25(15-20-7-9-21(37)10-8-20)26-16-22(38)11-12-24(26)30(27)28/h7-12,15-18,29,31-34,36,41-43H,3-6,13-14,19H2,1-2H3,(H,44,45)/b25-15-/t29?,31?,32-,33?,34-,36+/m0/s1

IUPAC

(2S,3S,6R)-6-[2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat