"methylglyoxal" . "(2S)-2-(1,3-benzothiazol-2-yl)-2-(2-{[2-(pyridin-3-yl)ethyl]amino}pyrimidin-4-yl)acetonitrile" . "ALOGPS" . "InChI=1S/C18H30N2O7/c1-6-9(4)11(15(21)20-12(17(23)24)10(5)7-2)19-16(22)13-14(27-13)18(25)26-8-3/h9-14H,6-8H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t9-,10-,11-,12-,13-,14-/m0/s1" . "ChemAxon" . "99.84" . "-0.29" . "9" . "2.66" . "97.2 \u00B0C" . "cinitapride" . "-3" . "PhysProp" . "144.95" . "1" . "59" . "C13H16N3NaO4S" . "CC1=CC=C(C=C1)N1C=C(CNCC2CCCCC2)C2=CC=CC=C12" . "C21H23N7O2S" .