Mrv1909 11281915222D 70 69 0 0 0 0 999 V2000 -5.9197 3.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6473 3.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9197 4.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1922 3.2004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3749 3.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6473 2.3663 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -6.6473 4.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1545 4.8249 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.4897 3.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3749 4.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0900 3.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7244 3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4897 4.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0900 4.8625 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -8.0900 2.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8301 3.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9969 3.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2818 3.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 3.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 3.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3119 3.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0269 3.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 3.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4947 3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2097 3.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9372 3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6964 3.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4050 3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1326 3.5267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4050 2.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 3.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 2.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5878 3.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5878 1.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1326 1.9147 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.3028 3.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6318 4.3420 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.3028 2.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5878 1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0304 1.8898 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 0.6791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3028 0.6415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6489 -2.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9348 -1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2206 -2.0249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5065 -1.6118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7924 -2.0224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0784 -1.6091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3642 -2.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.6066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9359 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0834 -0.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7975 -2.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5116 -0.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2257 -2.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5276 -2.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -1.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 -2.1044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6700 -1.6912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3840 -2.1018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0981 -1.6886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8123 -2.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5265 -1.6860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2406 -2.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -2.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6649 -0.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9508 -2.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 40 2 0 0 0 0 36 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 2 0 0 0 0 7 10 2 0 0 0 0 38 40 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 50 54 1 1 0 0 0 49 55 1 1 0 0 0 48 56 1 1 0 0 0 47 57 1 6 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 63 67 1 1 0 0 0 62 68 1 1 0 0 0 61 69 1 1 0 0 0 60 70 1 6 0 0 0 M END > DBSALT002655 > drugbank > CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)C1=C(I)C(NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(I)C(C(O)=O)=C(I)C=C2I)=C(I)C=C1I > InChI=1S/C26H26I6N2O10.2C7H17NO5/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40);2*4-13H,2-3H2,1H3/t;2*4-,5+,6+,7+/m.00/s1 > LNBGFESBSAEKAE-VRWDCWMNSA-N > C40H60I6N4O20 > 1678.355 > 1677.80691 > 10 > 130 > 88.78213858399802 > 0 > 4 > 0 > 0 > bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol); 3-{1-[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]-3,6,9,12-tetraoxapentadecan-15-amido}-2,4,6-triiodobenzoic acid > 4.13 > 7.171051480666666 > -5.66 > 0 > 2 > -2 > 2.6275664609835863 > 2.025506765004233 > -3.8411233485212595 > 169.72 > 218.95300000000003 > 31 > 0 > 2.84e-03 g/l > iodoxamate meglumine > 0 > DBSALT002655 > DB09442 > Iodoxamate meglumine > DB13539 > Iodoxamic acid > 51764-33-1 > CIX5G6J9R1 $$$$