Analyte Name

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

CAS Number

2098799-13-2

Molecular Formula

C35 H23 Cl2 F7 N6 O5

Molecular Weight

811.489

Accurate Mass

810.1

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(F)c4)c2)ccn1

InChI

InChI=1S/C35H23Cl2F7N6O5/c1-45-31(51)29-15-21(10-11-46-29)54-20-5-9-28(50-33(53)48-18-3-7-25(37)23(13-18)35(42,43)44)30(16-20)55-19-4-8-27(26(38)14-19)49-32(52)47-17-2-6-24(36)22(12-17)34(39,40)41/h2-16H,1H3,(H,45,51)(H2,47,49,52)(H2,48,50,53)

IUPAC

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

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Regorafenib