Mrv0541 11191412202D 35 35 0 0 0 0 999 V2000 15.1067 -23.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8232 -23.4776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3914 -23.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5342 -23.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2481 -23.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -23.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6761 -23.4767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8246 -22.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2481 -22.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1061 -24.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8242 -25.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8242 -25.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1067 -26.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3932 -25.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3932 -25.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1057 -27.1926 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 13.6769 -24.7131 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 16.5401 -24.7122 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 13.6769 -26.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9642 -25.9485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2502 -26.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5362 -25.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8223 -26.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -25.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6741 -27.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9661 -25.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5362 -25.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5382 -26.3659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2522 -25.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9662 -26.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6801 -25.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3941 -26.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2540 -25.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0057 -27.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6794 -27.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 8 1 0 0 0 0 5 9 1 0 0 0 0 10 1 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 12 13 1 0 0 0 0 22 27 1 0 0 0 0 11 18 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 14 19 1 0 0 0 0 29 30 1 0 0 0 0 14 15 1 0 0 0 0 30 31 1 0 0 0 0 19 20 1 0 0 0 0 31 32 1 0 0 0 0 15 10 2 0 0 0 0 29 33 2 0 0 0 0 20 21 1 0 0 0 0 30 34 1 0 0 0 0 10 11 1 0 0 0 0 34 35 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 13 16 1 0 0 0 0 23 24 1 0 0 0 0 11 12 2 0 0 0 0 19 25 2 0 0 0 0 15 17 1 0 0 0 0 20 26 1 0 0 0 0 M END > CHEBI:31701 > iobitridol > A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a 3-hydroxy-2-(hydroxymethyl)propanimido at position 5. > 3 > N,N'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamide > N,N'-bis(2,3-dihydroxypropyl)-5-{[3-hydroxy-2-(hydroxymethyl)propanoyl]amino}-2,4,6-triiodo-N,N'-dimethylbenzene-1,3-dicarboxamide > C20H28I3N3O9 > 835.16440 > 834.89596 > 0 > CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I > InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33) > YLPBXIKWXNRACS-UHFFFAOYSA-N > 136949-58-1 > 8178996 > 136949-58-1 > D01181 > Iobitridol > 23341290; 24531005; 25238643 $$$$