Mrv1909 08272118002D 55 53 0 0 1 0 999 V2000 1.3083 -3.4721 0.0000 Gd 0 1 0 0 0 0 0 0 0 0 0 0 -1.1042 0.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 0.9183 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 0.5070 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0143 1.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1134 1.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 1.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3466 2.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1653 2.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1789 0.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3534 0.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0021 2.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5856 3.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0019 3.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8331 3.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8272 2.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0021 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8243 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2412 0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8372 -0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0113 -0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5986 0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1042 -0.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6882 -1.3369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1391 -1.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 -1.7482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -1.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3898 -1.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1015 -1.7436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8133 -1.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5297 -1.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2460 -1.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5297 -2.5664 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5175 -2.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5175 -3.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2338 -3.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8058 -3.6940 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8554 -2.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1343 -2.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -2.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1343 -3.8049 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3999 -1.7436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1164 -1.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8327 -1.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -1.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8327 -2.5664 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8205 -2.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8205 -3.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5368 -3.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1088 -3.6940 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7502 2.0601 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.7502 2.0601 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.7502 2.0601 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 10 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 25 2 1 0 0 0 0 26 25 1 1 0 0 0 27 26 1 0 0 0 0 28 27 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 31 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 28 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 26 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 44 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 M CHG 8 1 3 4 -1 35 -1 39 -1 43 -1 48 -1 52 -1 53 1 M CHG 2 54 1 55 1 M STY 1 1 SRU M SAL 1 1 53 M SDI 1 4 2.3377 1.6476 2.3377 2.4726 M SDI 1 4 3.1627 2.4726 3.1627 1.6476 M SMT 1 3 M END > DB06705 > drugbank > [Na+].[Na+].[Na+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)C[C@H](COP([O-])(=O)OC1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1)N(CC([O-])=O)CC([O-])=O > InChI=1S/C33H44N3O14P.Gd.3Na/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;;;;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);;;;/q;+3;3*+1/p-6/t26-;;;;/m1..../s1 > XGOSYNSWSRUASG-SSMZTGFVSA-H > C33H38GdN3Na5O14P > 1003.85 > 1004.081 > 95 > 0 > 0 > 3.84 > -3.80 > 0 > 1.69e-01 g/l > DB06705 > approved > Gadofosveset trisodium > Gadofosveset > Ablavar; Vasovist > Gadofosveset trisodium monohydrate $$$$