3068143 -OEChem-04252408452D 79 81 0 1 0 0 0 0 0999 V2000 5.7397 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 2.5400 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.3057 11.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0796 10.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 9.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 11.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5616 7.2242 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8034 10.2692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7616 8.2450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7616 7.2034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5616 8.2242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6676 8.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6676 6.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 8.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4276 6.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4276 8.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9014 9.7483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2936 7.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2936 8.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0033 10.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9014 5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4116 9.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2036 8.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7954 11.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 11.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8854 11.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3096 10.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2117 9.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 9.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 11.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 10.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 11.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1698 11.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9437 9.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 10.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 12.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 8.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 7.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5681 9.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0722 9.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 9.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 6.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0722 6.2198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 8.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6832 8.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0291 6.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8262 6.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6832 7.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 6.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4377 9.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5057 6.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 7.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2814 5.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9037 5.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5213 5.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3416 9.9612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8711 10.0695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7370 8.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 11.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 11.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2753 12.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4772 12.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 9.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 12.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4819 11.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7056 12.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8578 12.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6316 9.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4794 9.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2558 10.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 10.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2335 9.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 12.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 13.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7661 12.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7397 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7397 2.5400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 78 1 0 0 0 0 2 79 1 0 0 0 0 3 28 1 0 0 0 0 3 34 1 0 0 0 0 4 29 1 0 0 0 0 4 35 1 0 0 0 0 5 32 1 0 0 0 0 5 36 1 0 0 0 0 6 33 1 0 0 0 0 6 37 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 18 1 0 0 0 0 8 25 1 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 1 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 6 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 40 1 6 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 18 14 1 6 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 19 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 22 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 23 2 0 0 0 0 18 21 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 24 2 0 0 0 0 21 26 1 0 0 0 0 21 30 2 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 28 1 0 0 0 0 23 58 1 0 0 0 0 24 29 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 29 2 0 0 0 0 30 32 1 0 0 0 0 30 64 1 0 0 0 0 31 33 1 0 0 0 0 31 65 1 0 0 0 0 32 33 2 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 M END > 3068143 > 1 > 679 > 6 > 3 > 7 > AAADcfB7OAAGAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAACxQAAAHgAQAAAADSzBmAYyBoPABACAAiBCAACCCAAgIAAAiIAOjIgNJiKEsRuEMCpk0BGKqAew0PMOoAABAAAQQABAAAIAACCAAAAAAAAAAA== > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;dihydrochloride > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;dihydrochloride > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;dihydrochloride > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;dihydrochloride > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;dihydrochloride > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;dihydrochloride > InChI=1S/C29H40N2O4.2ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H/t18-,21-,24+,25-;;/m0../s1 > JROGBPMEKVAPEH-GXGBFOEMSA-N > 552.2521632 > C29H42Cl2N2O4 > 553.6 > CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl > CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl > 52.2 > 552.2521632 > 0 > 37 > 4 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 10 16 6 11 40 6 18 14 6 17 20 8 17 23 8 20 24 8 21 26 8 21 30 8 23 28 8 24 29 8 26 31 8 28 29 8 30 32 8 31 33 8 32 33 8 9 14 5 $$$$