10070040 -OEChem-10051722043D 62 64 0 1 0 0 0 0 0999 V2000 2.2533 1.2714 -2.0726 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8001 2.7102 -0.9982 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9524 2.4405 1.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6407 -0.2643 -0.0466 N 0 0 2 0 0 0 0 0 0 0 0 0 2.5637 0.2879 0.2965 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 0.4930 -0.1278 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2754 0.9120 1.0409 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6569 -0.7441 -0.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 0.9964 0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8251 -0.6033 -1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3841 -0.0309 2.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.6336 -1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0541 -0.1796 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 -1.0142 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 1.2992 0.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9506 -0.3686 0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7741 0.9024 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0821 -2.0193 1.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8655 -1.2532 -1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4115 -0.3058 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 2.2677 -3.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5479 2.0118 1.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6703 -3.2634 0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4534 -2.4973 -1.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0829 0.9167 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0913 -1.4702 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3558 -3.5023 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4341 0.9749 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4424 -1.4119 -0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1138 -0.1893 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 1.9122 1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 -0.9606 -1.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 -1.6428 -0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8056 1.2482 1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3172 1.8262 -0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -1.5604 -1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 0.1523 -2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3368 0.2583 3.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3744 0.0276 2.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1808 -1.0731 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2804 0.7614 -0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3005 -0.9820 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7384 -1.3337 1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7578 0.3903 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7695 0.0311 1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 0.6514 0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5638 -1.8507 1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 -0.4827 -1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 3.1560 -2.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 1.8536 -3.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5911 2.5239 -3.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0679 2.2943 2.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6062 2.9058 1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5681 1.6832 2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -4.0450 1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9915 -2.6820 -2.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5635 1.8310 0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5786 -2.4283 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8151 -4.4703 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9568 1.9269 0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9717 -2.3184 -0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1657 -0.1439 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 2 12 2 0 0 0 0 3 15 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 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 11 40 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 22 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 23 1 0 0 0 0 18 47 1 0 0 0 0 19 24 2 0 0 0 0 19 48 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 27 2 0 0 0 0 23 55 1 0 0 0 0 24 27 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 29 2 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 28 30 2 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > DB09174 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IMYHGORQCPYVBZ-NLFFAJNJSA-N/SDF?record_type=3d > CCC(=O)N(C1=CC=CC=C1)[C@]1(CCN(CCC2=CC=CC=C2)C[C@H]1C)C(=O)OC > InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1 > IMYHGORQCPYVBZ-NLFFAJNJSA-N > C25H32N2O3 > 408.542 > 408.241292898 > 3 > 62 > 46.15438797527228 > 1 > 0 > 0 > 1 > methyl (3R,4S)-3-methyl-1-(2-phenylethyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate > 3.93 > 4.146846621 > -4.39 > 1 > 3 > 1 > 8.35672672684067 > 49.85000000000001 > 118.79240000000003 > 8 > 1 > 1.66e-02 g/l > lofentanil > 0 $$$$