3348 -OEChem-10051719263D 76 79 0 1 0 0 0 0 0999 V2000 2.9001 -0.0048 -1.7141 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7296 -3.8346 -1.9634 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7706 4.2139 0.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 2.5328 1.2835 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 -2.5111 0.9334 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6049 -0.6338 0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -0.1873 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 -2.1103 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 0.2390 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 -1.1192 1.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -2.9787 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -3.3812 1.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3404 1.7547 -0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9105 -0.2202 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -3.2050 1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 -3.5679 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3944 2.6405 -1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4884 -0.8236 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1946 2.2429 1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6632 -0.0327 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6251 -3.4323 -0.5964 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3025 4.0145 -1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8191 -1.2396 -1.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1027 3.6168 1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9941 -0.4485 0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 -2.0293 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 4.5026 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 -1.0519 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3161 -1.7880 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5387 -0.9753 -1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7276 1.9462 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1871 0.5611 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8226 -0.4929 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0451 0.3198 -1.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1390 2.4826 -1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9967 2.0902 0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6752 2.9105 0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9723 -0.5622 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7212 -0.1864 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 0.8263 0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 -2.4920 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4146 -2.2563 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5686 -1.0259 2.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7552 -0.7596 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8447 -4.0094 0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 -2.9811 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -4.4339 1.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 -3.2027 2.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5553 -3.8740 1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 -2.1918 1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0999 0.5306 -1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5201 -2.9624 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 -4.6048 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 2.2943 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9351 -0.9892 -2.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1578 1.5870 2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2396 0.4189 1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2374 -4.1307 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 4.7048 -1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2694 -1.7104 -2.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9915 3.9974 2.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5794 -0.3059 1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 5.5725 0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6078 -1.3767 -0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -3.6332 -2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8209 -2.5998 0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6522 -1.1432 -1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7126 -0.3630 0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5308 1.1264 -1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8323 1.7915 -2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2694 2.6115 -2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6351 3.4579 -1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3208 3.1370 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7917 1.7770 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8402 1.5077 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0928 4.7690 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 51 1 0 0 0 0 2 21 1 0 0 0 0 2 65 1 0 0 0 0 3 37 1 0 0 0 0 3 76 1 0 0 0 0 4 37 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 38 1 0 0 0 0 7 10 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 11 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 15 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 21 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 22 1 0 0 0 0 17 54 1 0 0 0 0 18 23 1 0 0 0 0 18 55 1 0 0 0 0 19 24 2 0 0 0 0 19 56 1 0 0 0 0 20 25 2 0 0 0 0 20 57 1 0 0 0 0 21 26 1 0 0 0 0 21 58 1 0 0 0 0 22 27 2 0 0 0 0 22 59 1 0 0 0 0 23 28 2 0 0 0 0 23 60 1 0 0 0 0 24 27 1 0 0 0 0 24 61 1 0 0 0 0 25 28 1 0 0 0 0 25 62 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 29 33 1 0 0 0 0 29 66 1 0 0 0 0 30 34 2 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 31 37 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 M END > DB00950 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RWTNPBWLLIMQHL-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) > RWTNPBWLLIMQHL-UHFFFAOYSA-N > C32H39NO4 > 501.6564 > 501.287908741 > 5 > 76 > 57.42211230747313 > 1 > 3 > 0 > 0 > 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid > 5.02 > 2.9385009869991623 > -5.28 > 1 > 4 > 0 > 13.19564234596055 > 4.04043821405387 > 9.010501448307204 > 80.99999999999999 > 147.98460000000009 > 10 > 0 > 2.66e-03 g/l > fexofenadine > 0 $$$$