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Application Area
Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Ximelagatran-[d11]

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General Information
Catalog: BLP-007872
Molecular Formula: C24H24D11N5O5
Molecular Weight: 484.63
Chemical Structure
Ximelagatran-[d11]
Description Ximelagatran-[d11] is the labelled analogue of Ximelagatran. Ximelagatran is an antithrombotic that is an orally active direct thrombin inhibitor. It is also a prodrug of Melagatran.
Synonyms Ximelagatran-d11; N-[(1R)-1-(Cyclohexyl-d11)-2-[(2S)-2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]glycine Ethyl Ester; Exanta-d11
IUPAC Name ethyl 2-[[2-[(2S)-2-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxo-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethyl]amino]acetate
Related CAS 192939-46-1 (unlabelled)
Canonical SMILES CCOC(=O)CNC(C1CCCCC1)C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=NO)N
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
InChI Key ZXIBCJHYVWYIKI-WHPGJBKBSA-N
Melting Point 132-133°C
Purity ≥95%; ≥95% atom D
Solubility Slightly soluble in Chloroform, Methanol
Appearance Pale Yellow Solid
Storage Store at -20°C under inert atmosphere
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