470999 -OEChem-02212015033D 68 70 0 1 0 0 0 0 0999 V2000 1.1638 -0.8145 0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4329 -0.1747 -0.5709 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1722 -3.3379 -1.8416 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -0.5246 -0.0276 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5549 0.7130 -1.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5516 0.0886 3.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0767 3.1168 -0.4218 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 -0.3401 -2.6317 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2029 -4.3347 0.9810 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 -3.6538 -0.0828 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6173 2.7795 2.4224 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 1.8898 -2.0945 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4836 2.1317 1.6981 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8333 -2.1450 0.0224 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5006 -1.5698 -0.8748 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0837 -2.0644 -1.2105 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2056 -2.8899 1.2160 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1528 -2.3084 0.3096 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2071 -2.3579 1.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 -0.7531 0.9744 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1841 0.5896 -1.4994 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5598 0.3360 2.0463 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3934 1.7282 1.4229 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5668 1.9835 -1.6837 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3864 1.9050 0.2621 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3071 0.7210 -0.7149 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7066 2.8114 -0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 1.4153 0.1347 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1677 2.8350 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3954 0.7853 -1.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2209 1.4394 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 -2.6674 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1419 -1.7471 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3714 -1.3723 -1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 -2.7169 2.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0515 -1.7593 0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6623 -2.9455 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 -1.3394 1.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7296 -1.7037 1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1807 0.1169 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 0.2818 2.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3642 1.8531 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1248 2.5023 -2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4069 1.9869 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3392 0.7062 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 -4.6663 0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1758 -4.8143 1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2585 -3.5948 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 -4.1091 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 2.3866 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 3.8370 -0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2102 0.8623 0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 -3.2308 -2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 3.4105 -0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 3.3620 0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3907 0.7432 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 1.6951 -2.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 2.6846 3.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4568 3.6922 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7713 1.9274 -0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6041 0.4136 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 1.3818 -2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2028 2.8228 -2.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7199 -0.7899 3.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 3.0341 -0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4791 2.0817 1.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0043 1.6552 2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9632 -0.2808 -3.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 15 1 0 0 0 0 2 21 1 0 0 0 0 3 16 1 0 0 0 0 3 53 1 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 5 21 1 0 0 0 0 5 28 1 0 0 0 0 6 22 1 0 0 0 0 6 64 1 0 0 0 0 7 25 1 0 0 0 0 7 65 1 0 0 0 0 8 30 1 0 0 0 0 8 68 1 0 0 0 0 9 17 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 18 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 23 1 0 0 0 0 11 58 1 0 0 0 0 11 59 1 0 0 0 0 12 24 1 0 0 0 0 12 62 1 0 0 0 0 12 63 1 0 0 0 0 13 31 1 0 0 0 0 13 66 1 0 0 0 0 13 67 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 27 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 30 1 0 0 0 0 26 45 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 28 52 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 M END > DB13270 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JJCQSGDBDPYCEO-XVZSLQNASA-N/SDF?record_type=3d > NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1 > InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1 > JJCQSGDBDPYCEO-XVZSLQNASA-N > C18H37N5O8 > 451.521 > 451.264213171 > 13 > 68 > 4.736280637233836 > 46.1475985975394 > 0 > 9 > 0 > 0 > (2S,3R,4S,5S,6R)-4-amino-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,5-diol > -2.65 > -5.329802951666668 > -1.13 > 1 > 5 > 3 > 5 > 13.132771267720612 > 12.542554386167716 > 9.837947983323748 > 247.93999999999997 > 105.37699999999995 > 6 > 0 > 3.39e+01 g/l > nasonex > 0 $$$$