3037209 -OEChem-11281910243D 82 84 0 1 0 0 0 0 0999 V2000 -0.3406 0.6763 0.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 -0.9071 0.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -2.4486 2.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3805 2.3834 1.4853 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2339 -1.5116 0.8108 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 3.1507 -0.6978 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1554 5.4450 0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 1.6394 1.2347 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8786 2.4909 0.0267 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 0.5063 -1.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3075 -0.8702 -0.1588 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 -2.8102 0.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -2.2709 -0.2098 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0634 -3.9940 -0.3175 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1272 3.5693 -1.5249 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5127 -3.6154 -0.5432 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3537 -5.4422 -0.4031 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5547 0.6798 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2050 -1.9728 0.5384 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4839 -1.2650 -0.5640 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1132 -1.3868 1.4476 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6524 -2.7092 -0.6964 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3703 -1.8421 -1.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 1.7234 0.2212 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9188 2.7110 -0.8884 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8428 3.9437 -0.9121 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0635 4.5195 0.5150 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1026 -0.6694 1.0410 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5291 0.7989 1.0849 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3877 3.3947 1.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2937 1.2022 -0.1743 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4175 0.2051 -0.4639 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9007 -1.2395 -0.4272 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8403 5.3138 1.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8013 -1.9834 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0317 -2.2562 -0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6113 -3.2132 0.3559 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0124 3.5441 -2.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5821 -4.2548 -0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7484 -0.3483 1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8045 -2.7030 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 -0.5355 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5617 -0.7346 2.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4827 -2.9122 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -2.4140 -2.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1696 -1.0059 -1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3007 1.3198 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 2.1752 -1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3909 4.7470 -1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 -0.9080 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 -3.2031 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1766 0.9649 1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7733 -4.5836 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 -4.4870 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3695 2.9477 1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 3.7901 2.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6155 1.3015 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 -2.9161 2.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 0.3382 0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1983 -1.4035 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 6.0943 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0671 5.8328 1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 4.6855 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8327 4.2602 -1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 -2.1477 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5883 -2.0969 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6548 3.7322 -1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3239 5.7478 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2136 -3.6174 1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 1.3614 2.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3221 2.7760 -3.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7077 4.5160 -3.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9919 3.3085 -3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4782 2.4361 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2549 0.3595 -2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5578 -4.5665 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 -3.8334 -1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 -3.7816 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2887 -4.2759 -0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3258 -2.5147 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3773 -6.0830 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3206 -5.1773 -0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 24 1 0 0 0 0 2 19 1 0 0 0 0 2 28 1 0 0 0 0 3 21 1 0 0 0 0 3 58 1 0 0 0 0 4 24 1 0 0 0 0 4 30 1 0 0 0 0 5 28 1 0 0 0 0 5 33 1 0 0 0 0 6 25 1 0 0 0 0 6 67 1 0 0 0 0 7 27 1 0 0 0 0 7 68 1 0 0 0 0 8 29 1 0 0 0 0 8 70 1 0 0 0 0 9 31 1 0 0 0 0 9 74 1 0 0 0 0 10 32 1 0 0 0 0 10 75 1 0 0 0 0 11 35 2 0 0 0 0 12 37 1 0 0 0 0 12 80 1 0 0 0 0 13 20 1 0 0 0 0 13 35 1 0 0 0 0 13 51 1 0 0 0 0 14 22 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 26 1 0 0 0 0 15 38 1 0 0 0 0 15 64 1 0 0 0 0 16 36 1 0 0 0 0 16 78 1 0 0 0 0 16 79 1 0 0 0 0 17 39 1 0 0 0 0 17 81 1 0 0 0 0 17 82 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 30 1 0 0 0 0 27 34 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 31 1 0 0 0 0 29 52 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 33 36 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 37 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 39 1 0 0 0 0 37 69 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 M END > DB13540 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UDIIBEDMEYAVNG-ZKFPOVNWSA-N/SDF?record_type=3d > [H][C@]1(O[C@H]2[C@@H](C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)NC(=O)[C@@H](O)CN)OC[C@](C)(O)[C@H](NC)[C@H]1O > InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1 > UDIIBEDMEYAVNG-ZKFPOVNWSA-N > C22H43N5O12 > 569.6031 > 569.290821865 > 16 > 82 > 56.682853478994915 > 0 > 12 > 0 > 0 > (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-{[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanamide > -2.76 > -7.300850409000001 > -0.96 > 1 > 3 > 4 > 12.620826709810997 > 12.070996103915922 > 9.541380549166027 > 297.71999999999997 > 128.42589999999998 > 9 > 0 > 6.30e+01 g/l > iodoxamate meglumine > 0 $$$$