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3-Desamino-3,4-dehydro Sitagliptin

ISO 17034:

Chemical Name : 3-Desamino-3,4-dehydro Sitagliptin
Catalog Number : CS-T-73299
CAS Number : 1675201-14-5
Status :
Category : Sitagliptin Impurities
Molecular Weight : 390.29 mol/g
Molecular Formula : C16H12F6N4O

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More Information

Chemical Name : 1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-3-en-1-one
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Canonical SMILES : C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC=CC3=CC(=C(C=C3F)F)F
Isomeric SMILES : C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC=CC3=CC(=C(C=C3F)F)F
InChI : InChI=1S/C16H12F6N4O/c17-10-7-12(19)11(18)6-9(10)2-1-3-14(27)25-4-5-26-13(8-25)23-24-15(26)16(20,21)22/h1-2,6-7H,3-5,8H2
IUPAC Name : 1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-3-en-1-one
Exact Mass : 390.09152999