Mrv1718004171813072D 72 79 0 0 0 0 999 V2000 -1.3280 1.5489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6070 2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6737 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3322 -2.7798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1037 -1.9766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6908 -2.3919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3983 2.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3718 -1.6046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4684 -1.5931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4850 -0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1248 -2.9823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2929 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0489 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1678 3.0315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 -0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1165 0.7735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8726 2.1888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 3.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5719 0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0335 -0.9974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 2.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 -3.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6838 3.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9299 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2062 2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9944 1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6486 -3.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4835 -2.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7899 1.2762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3136 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1828 -4.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5589 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5612 -2.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0697 2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0545 -2.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -4.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7943 2.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0376 -3.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 -1.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4019 1.3713 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.6957 0.4044 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8269 -1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 -3.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 3.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4252 1.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0837 3.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 4.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 -5.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5314 -4.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5826 3.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8033 -3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9642 4.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2052 5.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4772 0.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4537 -1.8381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3198 -2.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 -1.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 -0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 -1.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2664 -0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9811 -1.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6957 -0.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9811 -2.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 -0.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 -2.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2664 -0.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24 14 1 0 0 0 0 16 25 1 1 0 0 0 26 7 1 0 0 0 0 3 27 1 6 0 0 0 28 1 1 0 0 0 0 11 29 1 6 0 0 0 30 16 1 0 0 0 0 31 6 1 0 0 0 0 32 28 1 0 0 0 0 33 32 1 0 0 0 0 34 29 1 0 0 0 0 35 27 1 0 0 0 0 4 36 1 6 0 0 0 37 32 1 0 0 0 0 38 46 1 0 0 0 0 39 22 2 0 0 0 0 40 21 2 0 0 0 0 41 34 2 0 0 0 0 6 42 1 1 0 0 0 43 8 1 0 0 0 0 44 25 1 0 0 0 0 45 25 1 0 0 0 0 46 20 1 0 0 0 0 47 22 1 0 0 0 0 48 21 1 0 0 0 0 49 23 1 0 0 0 0 50 18 1 0 0 0 0 51 25 1 0 0 0 0 52 24 1 0 0 0 0 53 34 1 0 0 0 0 54 49 1 0 0 0 0 55 47 1 0 0 0 0 56 48 1 0 0 0 0 57 42 1 0 0 0 0 58 50 2 0 0 0 0 59 52 2 0 0 0 0 32 60 1 1 0 0 0 17 26 1 0 0 0 0 18 24 2 0 0 0 0 12 10 2 0 0 0 0 17 30 1 0 0 0 0 59 58 1 0 0 0 0 5 8 1 0 0 0 0 35 20 1 0 0 0 0 11 4 1 0 0 0 0 31 38 2 0 0 0 0 2 1 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 9 1 0 0 0 0 7 2 2 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 15 1 0 0 0 0 11 6 1 0 0 0 0 12 19 1 0 0 0 0 1 13 1 1 0 0 0 14 2 1 0 0 0 0 15 23 2 0 0 0 0 16 33 1 0 0 0 0 17 37 1 0 0 0 0 18 7 1 0 0 0 0 19 13 2 0 0 0 0 20 9 1 0 0 0 0 1 21 1 0 0 0 0 4 22 1 0 0 0 0 23 13 1 0 0 0 0 9 61 1 1 0 0 0 5 62 1 6 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 2 0 0 0 0 64 70 2 0 0 0 0 65 71 1 0 0 0 0 66 72 1 0 0 0 0 M END > DBSALT002672 > drugbank > OC(C(O)C(O)=O)C(O)=O.[H][C@@]12N3CC[C@@]11C4=C(C=C(OC)C(=C4)[C@]4(C[C@]5([H])C[C@H](CN(C5)CC5=C4NC4=C5C=CC=C4)C(C)(F)F)C(=O)OC)N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC > InChI=1S/C45H54F2N4O8.C4H6O6/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44;5-1(3(7)8)2(6)4(9)10/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3;1-2,5-6H,(H,7,8)(H,9,10)/t26-,27+,36-,37+,38+,42+,43+,44-,45-;/m0./s1 > TXONSEMUKVZUON-WVJCOWEJSA-N > C49H60F2N4O14 > 967.03 > 966.407408954 > 8 > 129 > 83.50897732499632 > 0 > 2 > 0 > 0 > 2,3-dihydroxybutanedioic acid; methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4(9),5,7-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraene-10-carboxylate > 4.50 > 4.645811736333335 > -5.16 > 1 > 9 > 2 > 15.049793677788063 > 10.868046138501164 > 8.664317826862318 > 133.87 > 216.5264999999999 > 13 > 0 > 5.64e-03 g/l > (.+-.)-tartaric acid; methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4(9),5,7-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraene-10-carboxylate > 0 > DBSALT002672 > Vinflunine ditartrate > DB11641 > Vinflunine > 194468-36-5 > 33MG53C7XW $$$$