44246707 -OEChem-04252406072D 62 64 0 1 0 0 0 0 0999 V2000 4.5053 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 7.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 7.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 7.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 4.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 7.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 7.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 7.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 3.6448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 3.6017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 6.2069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 5.1794 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7998 5.1794 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0678 6.1794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9338 4.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 6.1794 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1738 4.6447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9338 6.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 4.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 6.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 6.2002 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2678 5.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 6.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 5.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 6.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 4.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 6.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 3.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 3.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 6.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 5.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 6.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3796 3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6477 3.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0726 4.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 4.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5353 4.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 4.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 6.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 4.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2892 4.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0874 4.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 5.8912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 7.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 3.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 2.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 2.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 2.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 2.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 3.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 4.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 6.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 5.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 8.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0634 2.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9129 2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6958 3.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 3.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1072 2.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9515 2.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 62 1 0 0 0 0 14 2 1 1 0 0 0 2 44 1 0 0 0 0 3 18 2 0 0 0 0 4 20 2 0 0 0 0 5 22 2 0 0 0 0 6 23 2 0 0 0 0 7 30 1 0 0 0 0 7 55 1 0 0 0 0 8 27 2 0 0 0 0 17 9 1 1 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 26 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 27 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 36 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 39 1 0 0 0 0 17 22 1 0 0 0 0 17 40 1 0 0 0 0 19 24 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 21 43 1 0 0 0 0 23 25 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 30 2 0 0 0 0 26 31 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 M END > 44246707 > 1 > 918 > 9 > 4 > 3 > AAADceB7OAAEAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAADBAAAAHgAQCAAADWzBmAQyxoNAAgCIAqVSUAKCAAAlIgAIiAHObMgIJj7KlLOEcUhm8BFI2Qe+3/PugEABQAAaAADAgAaEADQAAAAAAAAAAA== > (4R,12aR)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide;hydrochloride > (4R,12aR)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide;hydrochloride > (4R,12aR)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide;hydrochloride > (4R,12aR)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide;hydrochloride > (4R,12aR)-4,7-bis(dimethylamino)-10,12a-bis(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide;hydrochloride > (4R,12aR)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraketo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide;hydrochloride > InChI=1S/C23H27N3O7.ClH/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;/h5-6,9,11,14,16-17,27,33H,7-8H2,1-4H3,(H2,24,32);1H/t9?,11?,14?,16?,17-,23-;/m1./s1 > BMVXJFPUXYXFRZ-BLZUSIKDSA-N > 493.1615779 > C23H28ClN3O7 > 493.9 > CN(C)C1C2CC3CC4=C(C=CC(=C4C(=O)C3C(=O)C2(C(=O)C(C1=O)C(=O)N)O)O)N(C)C.Cl > CN(C)[C@@H]1C2CC3CC4=C(C=CC(=C4C(=O)C3C(=O)[C@]2(C(=O)C(C1=O)C(=O)N)O)O)N(C)C.Cl > 158 > 493.1615779 > 0 > 34 > 2 > 4 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 12 15 3 13 19 3 16 23 3 14 2 5 21 27 3 24 25 8 24 26 8 25 30 8 26 31 8 30 32 8 31 32 8 17 9 5 $$$$