Regorafenib N-Beta-D-Glucuronide Sodium Salt

Product Specifications

Synonyms

(2S,3S,4S,5R,6R)-6-(1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(2-fluoro-4-((2-(methylcarbamoyl)pyridin-4-yl)oxy)phenyl)ureido)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic Acid Sodium Salt

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

[Na+].CNC(=O)c1cc(Oc2ccc(NC(=O)N([C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)[O-])c4ccc(Cl)c(c4)C(F)(F)F)c(F)c2)ccn1

Molecular Formula

C27 H22 Cl F4 N4 O9 . Na

Molecular Weight

680.92

InChI

InChI=1S/C27H23ClF4N4O9.Na/c1-33-23(40)18-10-13(6-7-34-18)44-12-3-5-17(16(29)9-12)35-26(43)36(11-2-4-15(28)14(8-11)27(30,31)32)24-21(39)19(37)20(38)22(45-24)25(41)42;/h2-10,19-22,24,37-39H,1H3,(H,33,40)(H,35,43)(H,41,42);/q;+1/p-1/t19-,20-,21+,22-,24+;/m0./s1

Additionnal Information

IUPAC name: sodium;(2S,3S,4S,5R,6R)-6-[4-chloro-N-[[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate