Mrv1572004091622172D 51 54 0 0 0 0 999 V2000 -3.4969 -0.5702 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4192 -2.3139 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 -1.1514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.8861 -1.7326 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.0323 1.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0972 -3.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5971 0.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1517 1.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6221 -1.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9818 0.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2398 -2.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1285 2.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 -1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 -2.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4011 -2.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8294 -0.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1642 -1.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 -3.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6996 5.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -1.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1052 -1.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2186 -1.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2777 -0.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 -2.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6996 2.7728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 -3.4989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4141 4.0104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9942 -3.4989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7087 -4.7364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1122 0.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3671 1.4629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2872 0.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6996 1.9478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9577 -2.0944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5452 -2.8088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7646 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 -3.0863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8023 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7246 -2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4141 3.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9852 3.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 -4.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 -3.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9852 4.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6996 4.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 -4.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9942 -4.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8570 4.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1517 -4.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7087 -5.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 1 17 2 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 2 20 2 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 24 2 0 0 0 0 4 15 1 0 0 0 0 4 21 1 0 0 0 0 4 23 1 0 0 0 0 4 25 2 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 36 1 0 0 0 0 6 38 1 0 0 0 0 31 7 1 1 0 0 0 32 8 1 1 0 0 0 35 9 1 1 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 2 0 0 0 0 14 44 2 0 0 0 0 19 46 2 0 0 0 0 34 26 1 6 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 38 27 1 6 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 41 1 0 0 0 0 28 46 1 0 0 0 0 28 49 1 0 0 0 0 29 44 1 0 0 0 0 29 48 2 0 0 0 0 30 48 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 39 1 6 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 40 1 6 0 0 0 37 38 1 0 0 0 0 42 45 2 0 0 0 0 43 47 2 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 M END > DB04983 > drugbank > [H]N([H])C1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)N([H])C2=O)O1 > InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1 > FPNPSEMJLALQSA-MIYUEGBISA-N > C18H27N5O21P4 > 773.323 > 773.014900901 > 18 > 75 > 60.3605892553329 > 0 > 9 > 0 > 0 > [({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid > 0.19 > -5.363776546378288 > -1.54 > 1 > 4 > -4 > 1.744608776531281 > 0.7570216770709255 > 0.1270637883904987 > 382.59999999999997 > 145.31230000000002 > 14 > 0 > 2.23e+01 g/l > {[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(({[(2R,3S,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy)phosphinic acid > 0 > DB04983 > investigational > Denufosol > Denufosol > Denufosol tetrasodium $$$$