14536547 -OEChem-05072403532D 74 75 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 10.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9661 10.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 9.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1001 11.7965 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 0.5357 2.1754 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 6.7319 2.6788 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 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 11.0639 2.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 10.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 10.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 10.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1001 10.7965 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 0.0000 2.4875 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 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 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 10.5927 3.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7956 3.1655 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 5.3680 11.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 9.6765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 10.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 10.6065 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 29 2 0 0 0 0 3 36 1 0 0 0 0 3 73 1 0 0 0 0 4 37 1 0 0 0 0 4 74 1 0 0 0 0 5 36 2 0 0 0 0 6 37 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 29 1 0 0 0 0 9 30 1 0 0 0 0 9 61 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 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 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 23 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 24 1 0 0 0 0 16 46 1 0 0 0 0 16 47 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 48 1 0 0 0 0 20 27 1 0 0 0 0 20 49 1 0 0 0 0 21 26 1 0 0 0 0 21 29 1 0 0 0 0 22 26 2 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 32 67 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 35 2 0 0 0 0 34 36 1 0 0 0 0 34 71 1 0 0 0 0 35 37 1 0 0 0 0 35 72 1 0 0 0 0 M END > 14536547 > 1 > 631 > 8 > 3 > 11 > AAADcfB7OABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgQQCAAADCjB2AQyyYPAAgiIAiXSWACCAAAlChAIiJ0IZMgIZHLglZGUMQhglgDo2YcciACOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > N-butyl-10-[2-(diethylamino)-1-methyl-ethyl]phenothiazine-2-carboxamide;fumaric acid > (E)-2-butenedioic acid;N-butyl-10-[1-(diethylamino)propan-2-yl]-2-phenothiazinecarboxamide > (E)-but-2-enedioic acid;N-butyl-10-[1-(diethylamino)propan-2-yl]phenothiazine-2-carboxamide > (E)-but-2-enedioic acid;N-butyl-10-[1-(diethylamino)propan-2-yl]phenothiazine-2-carboxamide > (E)-but-2-enedioic acid;N-butyl-10-[1-(diethylamino)propan-2-yl]phenothiazine-2-carboxamide > N-butyl-10-[2-(diethylamino)-1-methyl-ethyl]phenothiazine-2-carboxamide;fumaric acid > InChI=1S/C24H33N3OS.C4H4O4/c1-5-8-15-25-24(28)19-13-14-23-21(16-19)27(18(4)17-26(6-2)7-3)20-11-9-10-12-22(20)29-23;5-3(6)1-2-4(7)8/h9-14,16,18H,5-8,15,17H2,1-4H3,(H,25,28);1-2H,(H,5,6)(H,7,8)/b;2-1+ > GXBXDCKMXAYGFC-WLHGVMLRSA-N > 527.24539246 > C28H37N3O5S > 527.7 > CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN(CC)CC.C(=CC(=O)O)C(=O)O > CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN(CC)CC.C(=C/C(=O)O)\C(=O)O > 136 > 527.24539246 > 0 > 37 > 0 > 1 > 1 > 0 > 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 27 8 21 26 8 22 26 8 25 28 8 27 28 8 $$$$