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Product Overview

Product Code

TRC-P501002

Product Format

Neat

Molecular Formula

C18 D3 H17 N2 O4

Molecular Weight

331.381

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

1018438-91-9

Documentation

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Product Information

Chemical Data

Analyte Name

Piragrel-d3

Molecular Formula

C18 D3 H17 N2 O4

Molecular Weight

331.381

Accurate Mass

331.161

SMILES

[2H]C([2H])([2H])Oc1cc(\C=C\C(=O)O)ccc1OCc2nc(C)c(C)nc2C

InChI

InChI=1S/C18H20N2O4/c1-11-12(2)20-15(13(3)19-11)10-24-16-7-5-14(6-8-18(21)22)9-17(16)23-4/h5-9H,10H2,1-4H3,(H,21,22)/b8-6+/i4D3

IUPAC

(E)-3-[3-(trideuteriomethoxy)-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]prop-2-enoic acid

Unlabelled CAS Number

1018438-91-9

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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