Product Code

TRC-O239992

Product Format

Neat

Molecular Formula

C36 D3 H42 N7 O5

Molecular Weight

658.805

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

211915-07-0

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

O-Octyl-d3 Dabigatran Ethyl Ester

Molecular Formula

C36 D3 H42 N7 O5

Molecular Weight

658.805

Accurate Mass

658.367

SMILES

[2H]C([2H])([2H])n1c(CNc2ccc(cc2)C(=N)NC(=O)OCCCCCCCC)nc3cc(ccc13)C(=O)N(CCC(=O)OCC)c4ccccn4

InChI

InChI=1S/C36H45N7O5/c1-4-6-7-8-9-12-23-48-36(46)41-34(37)26-14-17-28(18-15-26)39-25-32-40-29-24-27(16-19-30(29)42(32)3)35(45)43(22-20-33(44)47-5-2)31-13-10-11-21-38-31/h10-11,13-19,21,24,39H,4-9,12,20,22-23,25H2,1-3H3,(H2,37,41,46)/i3D3

IUPAC

ethyl 3-[[2-[[4-(N-octoxycarbonylcarbamimidoyl)anilino]methyl]-1-(trideuteriomethyl)benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

Unlabelled CAS Number

211915-07-0

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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O-Octyl-d3 Dabigatran Ethyl Ester

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