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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

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