Mrv1572003291620492D 71 66 0 0 0 0 999 V2000 -0.8243 1.9898 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.2145 -1.1017 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 -3.8355 4.2758 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.2034 1.1842 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 -7.3426 -3.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -6.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 0.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -2.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6316 1.8196 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4072 -1.2719 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3369 0.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7019 -2.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2846 3.6617 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7543 0.5702 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.3481 2.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6908 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0194 5.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0195 2.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0195 4.8941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0195 6.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0195 9.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8475 -5.5077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 -8.5993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3426 -5.6689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -8.7604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0570 -4.4314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9818 -7.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0874 -3.0103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 0.0811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2674 -8.7604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7716 -5.6689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4476 -6.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5912 -3.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8475 -4.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 -7.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 -6.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7839 -3.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6281 -4.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 -7.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6281 -5.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 -8.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5276 -2.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5112 -5.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3660 -4.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6729 -7.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -7.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3426 -4.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7203 -2.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3185 -5.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0786 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9603 -4.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 -0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0238 -3.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 -4.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8223 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2165 -4.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9818 -8.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0570 -5.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3437 -2.2261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6952 0.8653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2461 1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7927 -1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2801 -3.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 -0.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9899 2.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0490 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1510 -2.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8879 1.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 -0.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5408 2.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 47 2 0 0 0 0 6 46 2 0 0 0 0 7 65 2 0 0 0 0 8 64 2 0 0 0 0 9 69 1 0 0 0 0 10 68 1 0 0 0 0 11 69 2 0 0 0 0 12 68 2 0 0 0 0 13 71 1 0 0 0 0 14 70 1 0 0 0 0 15 71 2 0 0 0 0 16 70 2 0 0 0 0 22 40 1 0 0 0 0 22 44 1 0 0 0 0 23 41 1 0 0 0 0 23 45 1 0 0 0 0 24 40 1 0 0 0 0 24 59 1 0 0 0 0 25 41 1 0 0 0 0 25 58 1 0 0 0 0 26 47 1 0 0 0 0 26 59 2 0 0 0 0 27 46 1 0 0 0 0 27 58 2 0 0 0 0 60 28 1 1 0 0 0 28 64 1 0 0 0 0 61 29 1 1 0 0 0 29 65 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 34 44 2 0 0 0 0 35 39 1 0 0 0 0 35 45 2 0 0 0 0 36 43 1 0 0 0 0 37 42 1 0 0 0 0 38 40 2 0 0 0 0 38 47 1 0 0 0 0 39 41 2 0 0 0 0 39 46 1 0 0 0 0 42 48 2 0 0 0 0 42 50 1 0 0 0 0 43 49 2 0 0 0 0 43 51 1 0 0 0 0 48 54 1 0 0 0 0 49 55 1 0 0 0 0 50 56 2 0 0 0 0 51 57 2 0 0 0 0 52 54 2 0 0 0 0 52 56 1 0 0 0 0 52 65 1 0 0 0 0 53 55 2 0 0 0 0 53 57 1 0 0 0 0 53 64 1 0 0 0 0 60 63 1 0 0 0 0 60 68 1 0 0 0 0 61 62 1 0 0 0 0 61 69 1 0 0 0 0 62 66 1 0 0 0 0 63 67 1 0 0 0 0 66 71 1 0 0 0 0 67 70 1 0 0 0 0 M CHG 8 1 1 2 1 3 1 4 1 9 -1 10 -1 13 -1 14 -1 M END > DBSALT001782 > drugbank > O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N1.NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N1 > InChI=1S/2C20H21N5O6.4Na.5H2O/c2*21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;;;;;;;;/h2*1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;;;5*1H2/q;;4*+1;;;;;/p-4/t2*13-;;;;;;;;;/m00........./s1 > ZCTCZKWJFTYNMZ-WKUCUCPSSA-J > C40H48N10Na4O17 > 1032.836 > 1032.27896725 > 9 > 119 > 41.42431532896025 > 0 > 4 > 0 > 0 > tetrasodium bis((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioate) pentahydrate > 1.54 > 1.4881234539999992 > -3.57 > 1 > 6 > -2 > 4.136113685602989 > 3.3411150233849805 > 0.8122353493685806 > 192.63 > 131.1238 > 18 > 0 > 1.27e-01 g/l > tetrasodium bis(pemetrexed(2-)) pentahydrate > 0 > DBSALT001782 > Pemetrexed disodium hemipentahydrate > DB00642 > Pemetrexed > 357166-30-4 > F4GSH45R4C $$$$