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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-[13C6]

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General Information
Catalog: BLP-002405
CAS: 1210608-88-0
Molecular Formula: C19[13C]6H25N7O3
Molecular Weight: 477.5
Chemical Structure
Dabigatran-[13C6]
Description Dabigatran-[13C6], is the labelled analogue of Dabigatran. Dabigatran is an anticoagulant used to treat and prevent blood clots and to prevent stroke in people with atrial fibrillation.
Synonyms N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine-13C6; Dabigatran 13C6; N-[2-({[4-Carbamimidoyl(13C6)phenyl]amino}methyl)-1-methyl-1H-benzimidazole-5-carbonyl]-N-pyridin-2-yl-beta-alanine
IUPAC Name 3-[[2-[[(4-carbamimidoyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
Related CAS 211914-51-1 (unlabelled)
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)/i5+1,6+1,8+1,9+1,16+1,18+1
InChI Key YBSJFWOBGCMAKL-WLDHFFRPSA-N
Melting Point >253°C (dec.)
Purity 95% (CP); 95% atom 13C
Solubility Soluble in Aqueous Acid
Appearance White to Off-white Solid
Storage Store at -20°C, under inert atmosphere
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