Analyte Name

Lapatinib-d7 Sulfoxide Dihydrochloride

Molecular Formula

C29H19D7ClFN4O3S . 2(HCl)

Molecular Weight

645.02

Accurate Mass

643.16

SMILES

FC1=CC(COC(C(Cl)=C2)=CC=C2NC3=NC=NC4=CC=C(C5=CC=C(CNC([2H])([2H])C([2H])([2H])S(C([2H])([2H])[2H])=O)O5)C=C43)=CC=C1.Cl.Cl

InChI

InChI=1S/C29H26ClFN4O3S.2ClH/c1-39(36)12-11-32-16-23-7-10-27(38-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)37-17-19-3-2-4-21(31)13-19;;/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*1H/i1D3,11D2,12D2;;

IUPAC

N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-((methyl-d3)sulfinyl)ethyl-1,1,2,2-d4)amino)methyl)furan-2-yl)quinazolin-4-amine dihydrochloride

Unlabelled CAS Number

1611495-33-0; Free base: 1275595-86-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat

API Family

TRC-Lapatanib