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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.

Deacetamidine Cyano Dabigatran Ethyl Ester-[d3] Oxalate

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General Information
Catalog: BLP-006386
CAS: 1794780-07-6
Molecular Formula: C29H25D3N6O7
Molecular Weight: 575.59
Chemical Structure
Deacetamidine Cyano Dabigatran Ethyl Ester-[d3] Oxalate
Description Deacetamidine Cyano Dabigatran Ethyl Ester-[d3] Oxalate is the labelled analogue of Deacetamidine Cyano Dabigatran Ethyl Ester Oxalate, which is a derivative of Dabigatran.
Synonyms Deacetamidine Cyano Dabigatran-d3 Ethyl Ester Oxalate; N-[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine Ethyl Ester Ethanedioate-d3
IUPAC Name ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-(trideuteriomethyl)benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;oxalic acid
Related CAS 1187067-69-1 (unlabelled)
Canonical SMILES CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C.C(=O)(C(=O)O)O
InChI InChI=1S/C27H26N6O3.C2H2O4/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21;3-1(4)2(5)6/h4-12,14,16,30H,3,13,15,18H2,1-2H3;(H,3,4)(H,5,6)/i2D3;
InChI Key JMECGZWCALSAMG-MUTAZJQDSA-N
Purity 98%
Solubility Soluble in Dimethyl Sulfoxide
Appearance Off-white Solid
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