5523 -OEChem-09282114133D 44 45 0 1 0 0 0 0 0999 V2000 -0.4836 1.2560 -1.6525 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2921 0.1866 -0.9419 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8601 -2.0324 -0.3341 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 0.0942 0.0783 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5091 0.9985 -0.2402 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0775 0.8322 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6234 2.3674 0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1325 2.1559 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 3.0624 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7512 -1.2043 -0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8141 0.3333 0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9636 0.5670 -0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 -0.4988 1.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7657 -2.3825 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9322 -3.2581 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 -0.0372 -0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 -1.1032 1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2115 -0.8724 0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4859 -0.4644 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7185 -0.1093 1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9304 0.2276 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 1.0259 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1726 3.0400 0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4811 2.2369 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 1.9630 1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0762 2.6665 0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0491 3.3625 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 3.9805 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8037 -1.7459 -0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8586 -0.9597 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2012 0.4485 -2.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 1.2258 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 -0.6877 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0207 -1.5446 1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7769 -2.7710 1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5019 -3.1571 1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0332 -3.0116 -2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 -3.8459 -0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0436 -3.8870 -1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0935 -1.7474 2.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1106 -1.3721 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2817 -0.1751 -1.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 -1.5543 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 -0.1245 0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 31 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 3 15 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 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 M END > DB00193 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TVYLLZQTGLZFBW-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C > InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 > TVYLLZQTGLZFBW-UHFFFAOYSA-N > C16H25NO2 > 263.381 > 263.188529049 > 3 > 44 > 1.0004181930887543 > 30.5122195002608 > 1 > 1 > 0 > 1 > 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol > 2.71 > 2.4498614993333323 > -2.55 > 0 > 1 > 2 > 1 > 13.795217794641689 > 9.231111081713522 > 32.7 > 78.26920000000001 > 4 > 1 > 7.50e-01 g/l > tramadol (not stereospecific) > 1 $$$$