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Sitagliptin-[d4]

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Sitagliptin-[d4]

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General Information
Catalog: BLP-006006
CAS: 1426173-93-4
Molecular Formula: C16H11D4F6N5O
Molecular Weight: 411.34

Chemical Structure

Description	An isotope labelled Sitagliptin. Sitagliptin, marketed as the phosphate salt, is a dipeptidyl peptidase-4 (DPP-4) inhibitor for treatment of diabetes mellitus type 2.
Synonyms	(3R)-3-amino-1-[3-(trifluoromethyl)(5,5,6,6-D4)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; (R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine D4
IUPAC Name	(3R)-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
Related CAS	486460-32-6 (unlabelled)
Canonical SMILES	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N
InChI	InChI=1S/C16H15F6N5O/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/t9-/m1/s1/i1D2,2D2
InChI Key	MFFMDFFZMYYVKS-OCDHMHOLSA-N
Purity	>98%