67922538 -OEChem-05052411102D 67 69 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 3.2008 10.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 10.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 9.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6649 11.7170 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 3.1448 5.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5267 5.7424 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 4.0678 4.1546 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 2.8358 6.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 6.6935 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 1.4418 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 4.9328 10.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7989 10.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 10.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6649 10.7170 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 3.4548 5.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7112 5.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 5.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 5.2055 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 3.2002 7.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 7.1950 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 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 10.5080 2.1564 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 9.8839 3.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9328 11.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7989 9.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6639 10.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0678 10.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 29 2 0 0 0 0 3 35 1 0 0 0 0 3 66 1 0 0 0 0 4 36 1 0 0 0 0 4 67 1 0 0 0 0 5 35 2 0 0 0 0 6 36 2 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 17 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 18 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 19 2 0 0 0 0 14 21 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 20 1 0 0 0 0 16 22 2 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 21 23 2 0 0 0 0 21 49 1 0 0 0 0 22 27 1 0 0 0 0 22 50 1 0 0 0 0 23 26 1 0 0 0 0 23 29 1 0 0 0 0 24 26 2 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 2 3 0 0 0 33 35 1 0 0 0 0 33 64 1 0 0 0 0 34 36 1 0 0 0 0 34 65 1 0 0 0 0 M END > 67922538 > 1 > 679 > 8 > 3 > 8 > AAADceB7OABAAAAAAAAAAAAAAAAAAQAAAAA8YIAAAAAAAACxQAAAHgQQCAAADCjB2AQyyYPAAgiIAiXSWACCAAAlChAIiJ0IZMgIZHLglZGUMQhglgDo2YcciACOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > but-2-enedioic acid;10-[2-(2,5-dihydropyrrol-1-yl)-1-methyl-ethyl]-N-propyl-phenothiazine-2-carboxamide > but-2-enedioic acid;10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-propyl-2-phenothiazinecarboxamide > but-2-enedioic acid;10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-propylphenothiazine-2-carboxamide > but-2-enedioic acid;10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-propylphenothiazine-2-carboxamide > but-2-enedioic acid;10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboxamide > but-2-enedioic acid;10-[1-methyl-2-(3-pyrrolin-1-yl)ethyl]-N-propyl-phenothiazine-2-carboxamide > InChI=1S/C23H27N3OS.C4H4O4/c1-3-12-24-23(27)18-10-11-22-20(15-18)26(17(2)16-25-13-6-7-14-25)19-8-4-5-9-21(19)28-22;5-3(6)1-2-4(7)8/h4-11,15,17H,3,12-14,16H2,1-2H3,(H,24,27);1-2H,(H,5,6)(H,7,8) > AZVGMUNWTMZPSA-UHFFFAOYSA-N > 509.19844227 > C27H31N3O5S > 509.6 > CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN4CC=CC4.C(=CC(=O)O)C(=O)O > CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN4CC=CC4.C(=CC(=O)O)C(=O)O > 136 > 509.19844227 > 0 > 36 > 0 > 1 > 0 > 1 > 0 > 2 > -1 > 1 5 255 > 10 15 3 14 19 8 14 21 8 16 20 8 16 22 8 19 24 8 20 25 8 21 23 8 22 27 8 23 26 8 24 26 8 25 28 8 27 28 8 33 34 1 $$$$