Product Code

TRC-S395851

Product Format

Neat

Molecular Formula

C29 D3 H28 N7 O3

Molecular Weight

528.62

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

2152628-33-4

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Selpercatinib-D3

Molecular Formula

C29 D3 H28 N7 O3

Molecular Weight

528.62

Accurate Mass

528.268

SMILES

[2H]C([2H])([2H])Oc1ccc(CN2C3CC2CN(C3)c4ccc(cn4)c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn1

InChI

InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3/i3D3

IUPAC

6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[[6-(trideuteriomethoxy)pyridin-3-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

Unlabelled CAS Number

2152628-33-4

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Selpercatinib-D₃

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