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Application Area
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.

Dabigatran-[d3]

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General Information
Catalog: BLP-012289
CAS: 1246817-44-6
Molecular Formula: C25H22D3N7O3
Molecular Weight: 474.53
Chemical Structure
Dabigatran-[d3]
Description Dabigatran-[d3] is a labelled analogue of Dabigatran. Dabigatran is an orally available anticoagulant drug used for the prevention of strokes.
Synonyms Dabigatran D3; N-{[2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-(2H3)methyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alanine
IUPAC Name 3-[[2-[(4-carbamimidoylanilino)methyl]-1-(trideuteriomethyl)benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
Related CAS 211914-51-1 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])N1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N
Canonical SMILES CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N
InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)/i1D3
InChI Key YBSJFWOBGCMAKL-FIBGUPNXSA-N
Boiling Point 797.1±70.0 °C at 760 mmHg
Melting Point 262-264°C (dec.)
Purity 95% by HPLC; 95% atom D
Density 1.4±0.1 g/cm3
Solubility Soluble in DMSO
Appearance White to Off-White Solid
Storage Store at -20°C, Under Inert Atmosphere
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