Analyte Name

Lumacaftor Glucuronide

Molecular Formula

C30 H26 F2 N2 O11

Molecular Weight

628.531

Accurate Mass

628.15

SMILES

Cc1ccc(NC(=O)C2(CC2)c3ccc4OC(F)(F)Oc4c3)nc1c5cccc(c5)C(=O)OC6O[C@H]([C@H](O)[C@@H](O)[C@@H]6O)C(=O)O

InChI

InChI=1S/C30H26F2N2O11/c1-13-5-8-19(34-28(41)29(9-10-29)16-6-7-17-18(12-16)45-30(31,32)44-17)33-20(13)14-3-2-4-15(11-14)26(40)43-27-23(37)21(35)22(36)24(42-27)25(38)39/h2-8,11-12,21-24,27,35-37H,9-10H2,1H3,(H,38,39)(H,33,34,41)/t21-,22-,23+,24-,27?/m1/s1

IUPAC

(2R,3R,4R,5S)-6-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat