PFAS
全球PFAS筛查数据库
阿格列汀13CD3(Alogliptin (13CD3))
CAS号: 1246817-18-4
IUPAC名称: 2-[[6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxo-3-(trideuterio(113C)methyl)pyrimidin-1-yl]methyl]benzonitrile
分子式: C1713CH18D3N5O2
分子量: 342.41500
InChI: InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1/i1+1D3
InChIKey: ZSBOMTDTBDDKMP-GKOPAMJVSA-N
SMILES: [2H][13C]([2H])([2H])N1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N
EINECS: -
