Marvin 05211012162D 58 66 0 0 0 0 999 V2000 11.0134 0.2845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6808 0.7694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4259 1.5540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6009 1.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3460 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9869 1.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2419 1.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0489 2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4878 0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0399 1.2110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7849 1.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9779 2.1671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5613 2.7505 0.0000 N 0 3 1 0 0 0 0 0 0 0 0 0 13.6232 1.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3582 2.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1447 3.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5318 3.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9541 2.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4245 2.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7543 0.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9416 3.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5249 3.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4482 1.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0316 1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8566 1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5163 -0.9420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8489 -1.4269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1038 -2.2115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9288 -2.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1837 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4808 -2.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2878 -2.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5428 -1.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9907 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5518 -2.8247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7448 -2.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4899 -1.8686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0419 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9003 -0.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7999 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9065 -2.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9684 -3.4080 0.0000 N 0 3 1 0 0 0 0 0 0 0 0 0 10.1200 -3.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3850 -3.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5882 -3.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0048 -4.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2662 -3.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7754 -1.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2584 -3.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7681 -3.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0815 -2.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4981 -1.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -1.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6808 -0.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8489 -0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6860 2.6671 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 15.3691 -3.7763 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 2 10 1 0 0 0 0 3 2 1 0 0 0 0 3 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 6 0 0 0 14 18 1 1 0 0 0 3 19 1 1 0 0 0 18 19 1 0 0 0 0 13 20 1 6 0 0 0 11 21 1 6 0 0 0 17 22 1 0 0 0 0 22 23 2 0 0 0 0 15 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 27 31 1 0 0 0 0 30 32 1 0 0 0 0 31 30 2 0 0 0 0 31 35 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 28 39 1 0 0 0 0 28 29 1 0 0 0 0 29 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 10 40 2 0 0 0 0 27 40 1 0 0 0 0 1 41 1 0 0 0 0 39 41 2 0 0 0 0 38 42 1 0 0 0 0 36 43 1 0 0 0 0 42 44 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 6 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 36 48 1 6 0 0 0 38 49 1 6 0 0 0 43 50 1 1 0 0 0 29 51 1 1 0 0 0 51 50 1 0 0 0 0 42 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 2 55 1 1 0 0 0 28 56 1 1 0 0 0 M CHG 4 14 1 43 1 57 -1 58 -1 M END > CHEBI:31185 > alcuronium chloride > Chloride salt of alcuronium. > 3 > CHEBI:296356 > N,N'-Diallylnortoxiferinium dichloride; Diallylnortoxiferine dichloride; Alloferin; Alcuronium dichloride; 4,4'-Didemethyl-4,4'-di-2-propenyltoxiferine I dichloride > (1R,3aR,9Z,10S,11aS,12R,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)-23,26-bis(2-hydroxyethylidene)-1,12-di(prop-2-en-1-yl)-1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-19aH,20bH-1,21:10,12-diethanodipyrrolo[3,2-f:3,2-f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazole-1,12-diium dichloride > cloruro de alcuronio; chlorure d'alcuronium; alcuronium chloride; alcuronii chloridum > C44H50N4O2.2Cl; C44H50Cl2N4O2 > 737.79900 > 736.33108 > 0 > [Cl-].[Cl-].[H][C@]12C[C@@]3([H])[C@@]4(CC[N@@+]3(CC=C)C\C1=C\CO)c1ccccc1N1\C=C3\[C@@]5([H])C[C@@]6([H])[C@@]7(CC[N@@+]6(CC=C)C\C5=C\CO)c5ccccc5N(\C=C2/[C@@]41[H])[C@@]37[H] > InChI=1S/C44H50N4O2.2ClH/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49;;/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2;2*1H/q+2;;/p-2/b29-13-,30-14-,33-25-,34-26-;;/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48-;;/m0../s1 > CPYGBGOXCJJJGC-GKLGUMFISA-L > 8184839 > D01215 $$$$