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Product Overview

Product Code

TRC-D195662

CAS Number

1794780-07-6

Product Format

Neat

Molecular Formula

C29H25D3N6O7

Molecular Weight

575.59

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

1187067-69-1

Product Information

Chemical Data

Analyte Name

Deacetamidine Cyano Dabigatran-d3 Ethyl Ester Oxalate

CAS Number

1794780-07-6

Molecular Formula

C29H25D3N6O7

Molecular Weight

575.59

Accurate Mass

575.2208

SMILES

[2H]C([2H])([2H])n1c(CNc2ccc(cc2)C#N)nc3cc(ccc13)C(=O)N(CCC(=O)OCC)c4ccccn4.OC(=O)C(=O)O

InChI

InChI=1S/C27H26N6O3.C2H2O4/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21;3-1(4)2(5)6/h4-12,14,16,30H,3,13,15,18H2,1-2H3;(H,3,4)(H,5,6)/i2D3;

IUPAC

ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-(trideuteriomethyl)benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;oxalic acid

Unlabelled CAS Number

1187067-69-1

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Deacetamidine Cyano Dabigatran-d3 Ethyl Ester Oxalate

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