4500 -OEChem-10051722053D 41 42 0 1 0 0 0 0 0999 V2000 0.3867 -0.1816 -0.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3997 2.0951 0.5022 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7646 -4.0422 0.3314 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 -0.8304 0.1733 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0203 -2.3297 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7915 -0.5347 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5091 -2.6065 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3027 -0.3558 -1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6011 -0.4475 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 0.7653 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6613 -0.0823 -1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9597 -0.1741 0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 1.9221 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4897 0.0086 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 0.6152 -0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1845 -4.3207 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8409 2.8995 0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 1.5926 -0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1757 2.7347 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7385 3.2725 1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -0.4348 1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.7559 -0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 -2.8456 0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8246 -2.1897 1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 -2.1262 -0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 -0.4364 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -0.5892 2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 -4.4241 -0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 0.0565 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6049 -0.1036 1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9503 -0.2623 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5477 0.2206 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3478 -5.4027 0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5561 -3.9496 1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7754 -3.8774 -0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6027 3.8101 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 1.4659 -0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 3.4955 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2327 3.3253 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8134 3.2334 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 4.1707 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 16 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 15 2 0 0 0 0 11 14 2 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 M END > DB09186 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ITJNARMNRKSWTA-UHFFFAOYSA-N/SDF?record_type=3d > CNCCC(OC1=CC=CC=C1OC)C1=CC=CC=C1 > InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 > ITJNARMNRKSWTA-UHFFFAOYSA-N > C17H21NO2 > 271.36 > 271.15722892 > 3 > 41 > 30.657793805942294 > 1 > 1 > 0 > 1 > [3-(2-methoxyphenoxy)-3-phenylpropyl](methyl)amine > 3.69 > 3.1376997959999997 > -4.35 > 0 > 2 > 1 > 9.803137485158887 > 30.49 > 80.85700000000003 > 7 > 1 > 1.20e-02 g/l > nisoxetine > 1 $$$$