Analyte Name

Regorafenib (1-(4-Chloro-3-(trifluoromethyl)phenyl)urea)trimer

Molecular Formula

C49 H31 Cl3 F10 N8 O7

Molecular Weight

1140.163

Accurate Mass

1138.122

SMILES

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(Oc4ccc(NC(=O)Nc5ccc(Cl)c(c5)C(F)(F)F)c(Oc6ccc(NC(=O)Nc7ccc(Cl)c(c7)C(F)(F)F)c(F)c6)c4)c2)ccn1

InChI

InChI=1S/C49H31Cl3F10N8O7/c1-63-43(71)40-20-29(14-15-64-40)75-27-6-12-38(69-45(73)66-24-3-9-34(51)31(17-24)48(57,58)59)41(21-27)77-28-7-13-39(70-46(74)67-25-4-10-35(52)32(18-25)49(60,61)62)42(22-28)76-26-5-11-37(36(53)19-26)68-44(72)65-23-2-8-33(50)30(16-23)47(54,55)56/h2-22H,1H3,(H,63,71)(H2,65,68,72)(H2,66,69,73)(H2,67,70,74)

IUPAC

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]phenoxy]phenoxy]-N-methylpyridine-2-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat