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Product Overview

Product Code

TRC-X745002

Product Format

Neat

Molecular Formula

C24H24D11N5O5

Molecular Weight

484.63

API Family

Melagatran

Product Categories

TRC, Chiral Molecules , Enzyme inhibitors, Impurity Reference Materials , Stable isotopes

Product Type

Impurity, Stable Isotope Labelled, API

Unlabelled CAS Number

192939-46-1

Documentation

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Product Information

Chemical Data

Analyte Name

Ximelagatran-d11

Molecular Formula

C24H24D11N5O5

Molecular Weight

484.63

SMILES

O=C([C@@H]1CCN1C([C@@H](C2([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])NCC(OCC)=O)=O)NCC3=CC=C(C(NO)=N)C=C3

InChI

InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21?/m0/s1/i3D2,4D2,5D2,6D2,7D2,17D

Unlabelled CAS Number

192939-46-1

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Impurity Type

Intermediate

API Family

Melagatran

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