67927925 -OEChem-05142408582D 77 78 0 1 0 0 0 0 0999 V2000 3.2018 0.6546 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 3.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 10.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9661 10.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 9.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1001 11.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 2.6546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 5.1546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 2.1821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 3.6546 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3358 4.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 4.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4697 5.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 5.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4697 6.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 6.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3319 2.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 2.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4639 2.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7319 2.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0639 2.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 3.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 10.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 10.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 10.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1001 10.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 3.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7252 4.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 3.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3778 3.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 4.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 4.6916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8591 5.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2577 5.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4138 5.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8124 5.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 3.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 3.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0897 6.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4697 7.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8497 6.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8218 6.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 7.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5818 6.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 0.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9352 1.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7322 1.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7317 3.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8606 3.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0636 3.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6022 1.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 1.6573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6020 1.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3718 2.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8121 3.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1897 4.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5721 3.6897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 11.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 9.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 10.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 10.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 31 2 0 0 0 0 3 37 1 0 0 0 0 3 76 1 0 0 0 0 4 38 1 0 0 0 0 4 77 1 0 0 0 0 5 37 2 0 0 0 0 6 38 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 67 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 18 1 0 0 0 0 13 20 2 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 23 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 24 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 22 1 0 0 0 0 18 25 2 0 0 0 0 19 21 2 0 0 0 0 19 49 1 0 0 0 0 20 29 1 0 0 0 0 20 50 1 0 0 0 0 21 26 1 0 0 0 0 21 31 1 0 0 0 0 22 26 2 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 32 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 33 1 0 0 0 0 28 34 1 0 0 0 0 28 62 1 0 0 0 0 29 32 2 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 32 66 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 36 2 3 0 0 0 35 37 1 0 0 0 0 35 74 1 0 0 0 0 36 38 1 0 0 0 0 36 75 1 0 0 0 0 M END > 67927925 > 1 > 658 > 8 > 3 > 11 > AAADcfB7OABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgQQCAAADSjB2AQyyYPAAgiIAiXSWACCAAAlChAIiJ0IZMgIZHLglZGUMQhglgDo2YcciACOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > but-2-enedioic acid;10-[2-(diethylamino)-1-methyl-ethyl]-N-isopentyl-phenothiazine-2-carboxamide > but-2-enedioic acid;10-[1-(diethylamino)propan-2-yl]-N-(3-methylbutyl)-2-phenothiazinecarboxamide > but-2-enedioic acid;10-[1-(diethylamino)propan-2-yl]-N-(3-methylbutyl)phenothiazine-2-carboxamide > but-2-enedioic acid;10-[1-(diethylamino)propan-2-yl]-N-(3-methylbutyl)phenothiazine-2-carboxamide > but-2-enedioic acid;10-[1-(diethylamino)propan-2-yl]-N-(3-methylbutyl)phenothiazine-2-carboxamide > but-2-enedioic acid;10-[2-(diethylamino)-1-methyl-ethyl]-N-isoamyl-phenothiazine-2-carboxamide > InChI=1S/C25H35N3OS.C4H4O4/c1-6-27(7-2)17-19(5)28-21-10-8-9-11-23(21)30-24-13-12-20(16-22(24)28)25(29)26-15-14-18(3)4;5-3(6)1-2-4(7)8/h8-13,16,18-19H,6-7,14-15,17H2,1-5H3,(H,26,29);1-2H,(H,5,6)(H,7,8) > DRMMFPPTPDUALX-UHFFFAOYSA-N > 541.26104253 > C29H39N3O5S > 541.7 > CCN(CC)CC(C)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)NCCC(C)C.C(=CC(=O)O)C(=O)O > CCN(CC)CC(C)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)NCCC(C)C.C(=CC(=O)O)C(=O)O > 136 > 541.26104253 > 0 > 38 > 0 > 1 > 0 > 1 > 0 > 2 > -1 > 1 5 255 > 10 14 3 12 17 8 12 19 8 13 18 8 13 20 8 17 22 8 18 25 8 19 21 8 20 29 8 21 26 8 22 26 8 25 32 8 29 32 8 35 36 1 $$$$