Mrv1718007041820382D 74 79 0 0 0 0 999 V2000 -3.5597 0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5113 -2.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0008 -3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1431 -3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5468 -2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 -4.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1431 4.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0008 -2.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2864 -3.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -2.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2864 4.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6851 -3.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0008 2.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 -4.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0129 -0.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3081 -1.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 -0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5251 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4286 2.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8584 -0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9052 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0702 -1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4286 1.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0404 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3584 -0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5719 0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -3.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2864 -1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8575 -1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5911 -2.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1431 3.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1785 -1.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5719 -0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 -3.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1431 2.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3606 -1.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8575 1.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 -2.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2864 -2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8575 -2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7732 -2.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9597 -4.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8575 3.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6807 -2.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 -0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7629 -0.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8575 2.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0449 -2.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5719 -2.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4575 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5719 3.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -2.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5719 2.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 -2.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1431 0.8537 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7247 -1.7145 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0494 -1.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 -0.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0008 -2.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1431 -2.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -2.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -4.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8575 4.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4986 -1.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5719 -3.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3603 -3.5619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2864 3.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8672 -3.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2864 2.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2314 -3.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5963 -0.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1085 -1.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 57 1 0 0 0 0 2 58 1 0 0 0 0 3 61 1 0 0 0 0 4 62 1 0 0 0 0 5 63 1 0 0 0 0 6 64 1 0 0 0 0 7 65 1 0 0 0 0 8 66 1 0 0 0 0 9 67 1 0 0 0 0 10 68 1 0 0 0 0 11 69 1 0 0 0 0 12 70 1 0 0 0 0 13 71 1 0 0 0 0 14 72 1 0 0 0 0 15 21 1 0 0 0 0 15 25 1 0 0 0 0 16 22 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 23 1 0 0 0 0 19 37 1 0 0 0 0 20 24 1 0 0 0 0 20 38 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 25 73 1 0 0 0 0 26 74 1 0 0 0 0 27 35 1 0 0 0 0 27 39 1 0 0 0 0 28 36 1 0 0 0 0 28 40 1 0 0 0 0 29 35 2 0 0 0 0 29 41 1 0 0 0 0 30 35 1 0 0 0 0 30 42 2 0 0 0 0 31 36 2 0 0 0 0 31 43 1 0 0 0 0 32 36 1 0 0 0 0 32 44 2 0 0 0 0 33 37 2 0 0 0 0 33 45 1 0 0 0 0 34 38 2 0 0 0 0 34 46 1 0 0 0 0 37 49 1 0 0 0 0 38 50 1 0 0 0 0 39 49 1 0 0 0 0 39 57 1 0 0 0 0 40 50 1 0 0 0 0 40 58 1 0 0 0 0 41 51 2 0 0 0 0 41 61 1 0 0 0 0 42 51 1 0 0 0 0 42 62 1 0 0 0 0 43 52 2 0 0 0 0 43 63 1 0 0 0 0 44 52 1 0 0 0 0 44 64 1 0 0 0 0 45 53 2 0 0 0 0 45 65 1 0 0 0 0 46 54 2 0 0 0 0 46 66 1 0 0 0 0 47 59 2 0 0 0 0 47 73 1 0 0 0 0 48 60 2 0 0 0 0 48 74 1 0 0 0 0 49 55 2 0 0 0 0 50 56 2 0 0 0 0 51 67 1 0 0 0 0 52 68 1 0 0 0 0 53 55 1 0 0 0 0 53 69 1 0 0 0 0 54 56 1 0 0 0 0 54 70 1 0 0 0 0 55 71 1 0 0 0 0 56 72 1 0 0 0 0 M CHG 2 57 1 58 1 M END > DB01135 > drugbank > COC1=CC(CC2C3=C(OC)C(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C(OC)=C3C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC > InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2 > GBLRQXKSCRCLBZ-UHFFFAOYSA-N > C56H78N2O16 > 1035.2223 > 1034.535134458 > 14 > 152 > 113.55768627492739 > 0 > 0 > 2 > 0 > 6,7,8-trimethoxy-2-methyl-2-(3-{[4-oxo-4-(3-{6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl}propoxy)butanoyl]oxy}propyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium > 3.44 > -2.491688721610156 > -7.09 > 1 > 6 > 2 > 19.00722596613584 > 18.405165974807876 > -4.127683187574672 > 163.36 > 302.1498 > 29 > 0 > 9.02e-05 g/l > nuromax > 0 > DB01135 > APRD00934; DB01334 > approved > Doxacurium > Nuromax > Doxacurium chloride $$$$