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2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-benzonitrile-[d3]

General Information
Catalog: BLP-006408
CAS: 1794937-18-0
Molecular Formula: C13H7D3ClN3O2
Molecular Weight: 278.71
Chemical Structure
2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-benzonitrile-[d3]
Description 2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-benzonitrile-[d3] is the labelled analogue of 2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-benzonitrile, which is a metabolite of Alogliptin.
Synonyms 2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-benzonitrile-d3; Alogliptin Related Compound 28-d3
IUPAC Name 2-[[6-chloro-2,4-dioxo-3-(trideuteriomethyl)pyrimidin-1-yl]methyl]benzonitrile
Related CAS 865758-96-9 (unlabelled)
Canonical SMILES CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)Cl
InChI InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3/i1D3
InChI Key BVUJISIVAHYNLI-FIBGUPNXSA-N
Purity 98% by HPLC
Solubility Soluble in Dichloromethane, Ethyl Acetate
Appearance White Solid
Storage Store at 2-8°C

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