Analyte Name

Regorafenib N-beta-D-Glucuronide (Pyridine)-N-oxide

CAS Number

2250106-07-9

Molecular Formula

C27H23ClF4N4O10

Molecular Weight

674.94

Accurate Mass

674.1

SMILES

O=C(NC1=CC=C(C=C1F)OC2=CC(C(NC)=O)=N(C=C2)=O)N([C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)C(O)=O)C4=CC(C(F)(F)F)=C(C=C4)Cl

InChI

InChI=1S/C27H23ClF4N4O10/c1-33-23(40)18-10-13(6-7-35(18)44)45-12-3-5-17(16(29)9-12)34-26(43)36(11-2-4-15(28)14(8-11)27(30,31)32)24-21(39)19(37)20(38)22(46-24)25(41)42/h2-10,19-22,24,37-39H,1H3,(H,33,40)(H,34,43)(H,41,42)/t19-,20-,21+,22-,24+/m0/s1

IUPAC

4-(4-(3-((2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-2-(methylcarbamoyl)pyridine 1-oxide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat