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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.

Rac-Sitagliptin-[d4] hydrochloride

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General Information
Catalog: BLP-014017
CAS: 1620233-77-3
Molecular Formula: C16H12D4ClF6N5O
Molecular Weight: 411.34
Chemical Structure
Rac-Sitagliptin-[d4] hydrochloride
Description Rac-Sitagliptin-[d4] hydrochloride is the labelled salt of Rac-Sitagliptin, which is a trizolopyrazine dipeptidyl peptidase IV (DPP-4) inhibitor. Sitagliptin is a medication used to treat diabetes mellitus type 2.
Synonyms (Rac)-Sitagliptin-d4 hydrochloride; 7-[3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine-d4 Hydrochloride
IUPAC Name 3-amino-1-[5,5,6,6-tetradeuterio-3-(trifluoromethyl)-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
Related CAS 823817-56-7 (unlabelled free base) 1426173-93-4 (free base)
Canonical SMILES C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.Cl
InChI InChI=1S/C16H15F6N5O.ClH/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;/h4,6,9H,1-3,5,7,23H2;1H/i1D2,2D2;
InChI Key PNXSHNOORJKXDW-PBCJVBLFSA-N
Purity 99% by HPLC
Solubility Soluble in DMSO, Ethyl Acetate, Methanol
Appearance Light Brown Solid
Storage Store at 2-8°C
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