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2,3-Desdihydrogen rac-Sitagliptin-[d4]

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General Information
Catalog: BLP-006369
CAS: 1620233-76-2
Molecular Formula: C16H9D4F6N5O
Molecular Weight: 409.32

Chemical Structure

Description	2,3-Desdihydrogen rac-Sitagliptin-[d4] is the labelled analogue of 2,3-Desdihydrogen rac-Sitagliptin, which is an intermediate of Sitagliptin.
Synonyms	(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine-d4; (2Z)-3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one-d4; 2,3-Desdihydrogen rac-Sitagliptin-d4; Sitagliptin Impurity 34-d4
IUPAC Name	(Z)-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)but-2-en-1-one
Related CAS	767340-03-4 (unlabelled)
Canonical SMILES	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C=C(CC3=CC(=C(C=C3F)F)F)N
InChI	InChI=1S/C16H13F6N5O/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/h4-6H,1-3,7,23H2/b9-5-/i1D2,2D2
InChI Key	RLSFDUAUKXKPCZ-GPBXNQQSSA-N
Solubility	Soluble in Methanol
Appearance	White Solid
Storage	Store at 2-8°C