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

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

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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.

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

Dabigatran Acyl-β-D-glucuronide-[d3] trifluoroacetate salt

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General Information
Catalog: BLP-006563
Molecular Formula: C33H31D3F3N7O11
Molecular Weight: 764.67
Chemical Structure
Dabigatran Acyl-β-D-glucuronide-[d3] trifluoroacetate salt
Description Dabigatran Acyl-β-D-glucuronide-[d3] trifluoroacetate salt is the labelled analogue of Dabigatran Acyl-β-D-Glucuronide Trifluoroacetic Acid Salt, which is the major metabolite of Dabigatran in humans.
Synonyms Dabigatran Acyl-β-D-glucuronide D3 trifluoroacetate salt; N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine β-D-Glucopyranuronosyl Ester-d3 Trifluoroacetic Acid Salt
IUPAC Name (2S,3S,4S,5R,6S)-6-[3-[[2-[(4-carbamimidoylanilino)methyl]-1-(trideuteriomethyl)benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;2,2,2-trifluoroacetic acid
Related CAS 1015167-40-4 (unlabelled free base)
Canonical SMILES CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC=CC=N4)N=C1CNC5=CC=C(C=C5)C(=N)N.C(=O)(C(F)(F)F)O
InChI InChI=1S/C31H33N7O9.C2HF3O2/c1-37-20-10-7-17(14-19(20)36-22(37)15-35-18-8-5-16(6-9-18)28(32)33)29(43)38(21-4-2-3-12-34-21)13-11-23(39)46-31-26(42)24(40)25(41)27(47-31)30(44)45;3-2(4,5)1(6)7/h2-10,12,14,24-27,31,35,40-42H,11,13,15H2,1H3,(H3,32,33)(H,44,45);(H,6,7)/t24-,25-,26+,27-,31+;/m0./s1/i1D3;
InChI Key RRCUNSDOLKLUGK-QAOCXMMBSA-N
Purity ≥96%
Solubility Slightly soluble in DMSO
Appearance Light Brown Solid
Storage Store at -20°C
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