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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.

N-Acetyl Sitagliptin-[d3]

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General Information
Catalog: BLP-004875
CAS: 1795785-80-6
Molecular Formula: C18H14D3F6N5O2
Molecular Weight: 452.37
Chemical Structure
N-Acetyl Sitagliptin-[d3]
Description N-Acetyl Sitagliptin-[d3] is the labelled analogue of N-Acetyl Sitagliptin, which is an impurity of Sitagliptin. Sitagliptin is a dipeptidylpeptidase-4 (DPP-4) inhibitor used in the treatment of diabetes mellitus type 2.
Synonyms N-Acetyl Sitagliptin D3; 7-[(3R)-3-[(N-Acetyl-d3)Amino]-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine; Sitagliptin impurity D-d3
IUPAC Name 2,2,2-trideuterio-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide
Related CAS 1379666-94-0 (unlabelled)
Canonical SMILES CC(=O)NC(CC1=CC(=C(C=C1F)F)F)CC(=O)N2CCN3C(=NN=C3C(F)(F)F)C2
InChI InChI=1S/C18H17F6N5O2/c1-9(30)25-11(4-10-5-13(20)14(21)7-12(10)19)6-16(31)28-2-3-29-15(8-28)26-27-17(29)18(22,23)24/h5,7,11H,2-4,6,8H2,1H3,(H,25,30)/t11-/m1/s1/i1D3
InChI Key YGFMQPHTQKCJPI-KMKPOHAJSA-N
Melting Point 83-87°C
Purity ≥98%
Solubility Soluble in Methanol, Water
Appearance Off-white Solid
Storage Store at 2-8°C under inert atmosphere
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