76 81 0 0 1 0 0 0 0 0999 V2000 13.5579 -15.6405 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3433 -14.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7722 -14.9396 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 13.5478 -17.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3433 -13.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1387 -15.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7722 -13.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9667 -14.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9667 -15.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7621 -17.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1387 -12.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5579 -12.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9144 -14.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1813 -14.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9570 -17.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7524 -19.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9144 -13.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7001 -15.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3858 -14.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1713 -17.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9570 -19.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7001 -12.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4858 -14.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6001 -14.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1713 -19.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3858 -17.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9570 -21.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4858 -13.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8144 -14.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3858 -19.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6001 -17.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1713 -21.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0190 -14.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8144 -12.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6001 -19.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2336 -14.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4478 -14.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6424 -14.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8667 -14.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0713 -14.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2956 -14.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5001 -14.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2956 -16.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7244 -14.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9290 -14.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1533 -14.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3579 -14.2286 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 36.5722 -14.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 35.3579 -12.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1533 -13.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7864 -14.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5722 -16.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5722 -12.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7864 -12.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9910 -14.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3579 -17.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9910 -12.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2056 -14.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1630 -16.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3676 -18.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2056 -12.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4199 -14.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9487 -17.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1630 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4199 -12.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.6342 -14.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9487 -18.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7342 -16.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1630 -20.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.6342 -12.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7342 -19.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5199 -17.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9487 -21.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5199 -18.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3336 -16.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.7767 -15.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 6 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 2 0 0 0 8 14 1 0 0 0 10 15 2 0 0 0 10 16 1 0 0 0 11 17 2 0 0 0 13 18 1 0 0 0 14 19 1 0 0 0 15 20 1 0 0 0 16 21 2 0 0 0 17 22 1 0 0 0 18 23 1 0 0 0 19 24 1 0 0 0 20 25 2 0 0 0 20 26 1 0 0 0 21 27 1 0 0 0 22 28 1 0 0 0 24 29 1 0 0 0 25 30 1 0 0 0 26 31 1 0 0 0 27 32 1 0 0 0 29 33 1 0 0 0 29 34 2 0 0 0 30 35 1 0 0 0 33 36 1 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 41 43 2 0 0 0 42 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 47 49 1 0 0 0 47 50 1 0 0 0 48 51 1 0 0 0 48 52 1 1 0 0 49 53 1 0 0 0 51 54 2 0 0 0 51 55 1 0 0 0 52 56 1 0 0 0 54 57 1 0 0 0 55 58 2 0 0 0 56 59 2 0 0 0 56 60 1 0 0 0 57 61 2 0 0 0 58 62 1 0 0 0 59 63 1 0 0 0 60 64 2 0 0 0 61 65 1 0 0 0 62 66 1 0 0 0 63 67 2 0 0 0 63 68 1 0 0 0 64 69 1 0 0 0 65 70 1 0 0 0 67 71 1 0 0 0 68 72 1 0 0 0 69 73 1 0 0 0 71 74 1 0 0 0 7 12 1 0 0 0 13 17 1 0 0 0 21 25 1 0 0 0 53 54 1 0 0 0 58 61 1 0 0 0 64 67 1 0 0 0 1 75 1 1 0 0 48 76 1 6 0 0 M CHG 2 3 1 47 1 M END > CHEBI:6958 > Mivacurium > 2 > mivacurium chloride; Mivacurium > C58H80N2O14 > 1029.263 > 1028.55986 > 2 > COc1cc2CC[N+](C)(CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]3(C)CCc4cc(OC)c(OC)cc4[C@H]3Cc3cc(OC)c(OC)c(OC)c3)[C@H](Cc3cc(OC)c(OC)c(OC)c3)c2cc1OC > InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1 > ILVYCEVXHALBSC-OTBYEXOQSA-N > 133814-19-4 > C07550 $$$$