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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.

Atecegatran-[d6]

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General Information
Catalog: BLP-003357
Molecular Formula: C21H15D6ClF2N4O4
Molecular Weight: 472.90
Chemical Structure
Atecegatran-[d6]
Description Atecegatran-[d6] is a labelled Atecegatran, a thrombin inhibitor that is an active metabolite of atecegatran metoxil (atecegatran fexenetil and AZD0837). AZD0837 is under development for the prevention of stroke and systemic embolism in patients with non-valvular atrial fibrillation.
Synonyms (2S)-N-{[4-carbamimidoyl(D4)phenyl](D2)methyl}-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]azetidine-2-carboxamide; [2H6]-AR-H 067637
IUPAC Name (2S)-N-[(4-carbamimidoyl-2,3,5,6-tetradeuteriophenyl)-dideuteriomethyl]-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]azetidine-2-carboxamide
Related CAS 917904-13-3 (unlabelled)
Canonical SMILES C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(C3=CC(=CC(=C3)Cl)OC(F)F)O
InChI InChI=1S/C21H21ClF2N4O4/c22-14-7-13(8-15(9-14)32-21(23)24)17(29)20(31)28-6-5-16(28)19(30)27-10-11-1-3-12(4-2-11)18(25)26/h1-4,7-9,16-17,21,29H,5-6,10H2,(H3,25,26)(H,27,30)/t16-,17+/m0/s1/i1D,2D,3D,4D,10D2
InChI Key QTUUCFVBSVJGOH-QTFJXACESA-N
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