Name: Melagatran-d11
Brand: TRC
SKU: TRC-M208452

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Product Overview

Product Code

TRC-M208452

Product Format

Neat

Molecular Formula

C22 D11 H20 N5 O4

Molecular Weight

440.58

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

159776-70-2

Documentation

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Product Information

Analyte Name

Melagatran-d11

Molecular Formula

C22 D11 H20 N5 O4

Molecular Weight

440.58

Accurate Mass

440.307

SMILES

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([C@@H](NCC(=O)O)C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C(=N)N)C([2H])([2H])C1([2H])[2H]

InChI

InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1/i1D2,2D2,3D2,4D2,5D2,15D

IUPAC

2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-2-oxo-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethyl]amino]acetic acid

Unlabelled CAS Number

159776-70-2

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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