12218309 -OEChem-10051719373D 45 46 0 1 0 0 0 0 0999 V2000 -0.0397 1.1425 0.7535 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 1.8390 -0.8496 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1824 0.2198 -0.5073 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.2758 -0.0699 0.0082 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3515 -0.9239 0.7528 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8558 0.4016 -1.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6938 -0.1592 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 1.0898 -1.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5628 -2.3140 0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0811 -0.7685 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4853 0.8771 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 -3.1227 0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -0.9371 -1.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6992 -1.2349 1.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 2.0082 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9361 -1.5743 -1.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -1.8720 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9926 3.2173 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -2.0417 -0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 4.2226 0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0301 -1.0587 1.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0034 -0.4702 -1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 1.0776 -1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 -0.7471 1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5528 0.7426 1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1019 2.0446 -0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5924 1.3250 -2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -2.8656 0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 -2.2523 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4403 1.8008 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2193 0.2082 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8699 1.1210 -1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3368 -3.0930 2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5872 -2.7917 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -4.1715 0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 -0.5995 -2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -1.1022 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4176 -1.7081 -2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4217 -2.2334 1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 3.6934 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3152 2.8806 2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 -2.5373 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6963 4.5828 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0691 5.0846 1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9898 3.7742 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 2 15 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 14 17 2 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 M END > DB01552 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ODEGQXRCQDVXSJ-RHSMWYFYSA-N/SDF?record_type=3d > CC[C@@H]1CN(C)CC[C@]1(OC(=O)CC)C1=CC=CC=C1 > InChI=1S/C17H25NO2/c1-4-14-13-18(3)12-11-17(14,20-16(19)5-2)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3/t14-,17-/m1/s1 > ODEGQXRCQDVXSJ-RHSMWYFYSA-N > C17H25NO2 > 275.392 > 275.188529049 > 2 > 45 > 31.625362974119373 > 1 > 0 > 0 > 1 > (3R,4R)-3-ethyl-1-methyl-4-phenylpiperidin-4-yl propanoate > 3.46 > 3.2220243709999985 > -3.12 > 0 > 2 > 1 > 9.104905948490138 > 29.54 > 81.01040000000002 > 5 > 1 > 2.11e-01 g/l > (3R,4R)-3-ethyl-1-methyl-4-phenylpiperidin-4-yl propanoate > 1 $$$$