44502708 -OEChem-04262406102D 85 87 0 1 0 0 0 0 0999 V2000 13.3103 1.2863 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.3103 3.2863 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 2.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 1.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -2.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 1.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -0.2137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 1.7863 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9059 -2.7830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 1.2863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2482 1.7863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3821 0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 1.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -1.2137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3821 3.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 2.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 3.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 1.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -1.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 2.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -1.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 1.7863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7841 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 2.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 2.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -0.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 -1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 1.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 2.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4443 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 3.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4443 2.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 -3.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 -3.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 1.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7851 2.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 -0.2963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 0.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7156 0.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 0.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 2.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 2.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2061 1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -0.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7807 3.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9836 3.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1176 2.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9146 2.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 3.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2516 3.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4477 0.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2448 0.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 -1.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 -1.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 3.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 2.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 -1.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1132 -2.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 -2.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0941 1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6002 2.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 3.4063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3602 2.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 -1.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 1.7494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 2.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 2.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 0.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9191 -3.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 0.6663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1753 3.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 3.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 -2.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 -3.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3539 -3.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -3.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -3.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0818 -2.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 38 1 0 0 0 0 3 11 1 0 0 0 0 3 16 1 0 0 0 0 4 24 1 0 0 0 0 4 27 1 0 0 0 0 5 21 1 0 0 0 0 5 75 1 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 8 26 1 0 0 0 0 9 32 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 6 0 0 0 10 41 1 0 0 0 0 11 13 1 6 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 21 1 0 0 0 0 15 23 1 1 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 25 1 0 0 0 0 19 22 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 28 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 24 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 30 1 1 0 0 0 24 66 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 31 1 0 0 0 0 28 34 2 0 0 0 0 28 35 1 0 0 0 0 29 32 2 0 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 33 2 0 0 0 0 31 74 1 0 0 0 0 32 33 1 0 0 0 0 33 76 1 0 0 0 0 34 36 1 0 0 0 0 34 77 1 0 0 0 0 35 37 2 0 0 0 0 35 78 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 M END > 44502708 > 1 > 762 > 6 > 1 > 7 > AAADcfB7OAAGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgIACAAADT7hmCYyxoMABgCIAiVSUACCCAAlJwAIikEObsgONjbFt5uHeWjm5hHY6Ye86CyOBEAAYAAIAAQIgADAABAACAAAAAAAAA== > (3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methyl-amino]methyl]-16-(dimethylamino)-12-[(1R)-2-hydroxy-1-methyl-ethyl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one > (3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one > (3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one > (3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one > (3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methyl-amino]methyl]-16-(dimethylamino)-3,10-dimethyl-12-[(2R)-1-oxidanylpropan-2-yl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one > (3R,9S,10S)-9-[[(3,4-dichlorobenzyl)-methyl-amino]methyl]-16-(dimethylamino)-12-[(1R)-2-hydroxy-1-methyl-ethyl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one > InChI=1S/C31H45Cl2N3O4/c1-21-17-36(22(2)20-37)31(38)26-16-25(34(4)5)11-13-29(26)40-23(3)9-7-8-14-39-30(21)19-35(6)18-24-10-12-27(32)28(33)15-24/h10-13,15-16,21-23,30,37H,7-9,14,17-20H2,1-6H3/t21-,22+,23+,30+/m0/s1 > HDXBPNDJZFTSGZ-JONNCTARSA-N > 6 > 593.2787123 > C31H45Cl2N3O4 > 594.6 > CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC(=C(C=C3)Cl)Cl > C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC(=C(C=C3)Cl)Cl > 65.5 > 593.2787123 > 0 > 40 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 6 11 13 6 15 23 5 24 30 5 25 27 8 25 29 8 27 31 8 28 34 8 28 35 8 29 32 8 31 33 8 32 33 8 34 36 8 35 37 8 36 38 8 37 38 8 $$$$