OSI-420-d4, Free Base (Desmethyl Erlotinib-d4)

Analyte Name

6-O-Desmethylerlotinib phenyl-2,4,5,6-d4

CAS Number

1216420-11-9

Molecular Formula

C21 2H4 H17 N3 O4

Molecular Weight

383.43

Accurate Mass

383.1783

SMILES

[2H]c1c([2H])c(Nc2ncnc3cc(OCCOC)c(OCCO)cc23)c([2H])c(C#C)c1[2H]

InChI

InChI=1S/C21H21N3O4/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(27-8-7-25)20(28-10-9-26-2)13-18(17)22-14-23-21/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24)/i4D,5D,6D,11D

IUPAC

2-[7-(2-methoxyethoxy)-4-(2,3,4,6-tetradeuterio-5-ethynylanilino)quinazolin-6-yl]oxyethanol

Alternate CAS Number

183321-86-0

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Erlotinib

Purity

>95% (HPLC)