2444 -OEChem-10051719323D 40 41 0 1 0 0 0 0 0999 V2000 5.9624 -1.7391 -0.4779 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8007 -0.9885 -0.0454 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4594 -1.4346 -0.0465 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1093 -0.0993 0.5876 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5473 -0.5035 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1859 1.3298 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 -0.6993 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0619 -1.6839 -0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5098 -0.2156 1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8603 -1.1490 -0.8558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0941 2.3540 1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 1.5783 -1.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3375 -2.3730 -0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6484 -1.5373 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8328 -0.5862 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 -1.5197 -1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1775 3.6702 0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 2.8946 -1.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1696 -1.2384 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7241 3.9405 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 -0.2034 1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2103 -0.8223 1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 0.3143 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -1.5707 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7578 -2.7116 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 0.2873 2.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1104 -1.3683 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5146 2.1562 2.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9239 0.7880 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3886 -2.1512 -0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1393 -3.4136 -0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2154 -2.2803 -1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2254 -0.6782 1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2324 -2.4629 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7172 -1.5172 1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5891 -0.3603 1.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 -2.0248 -2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 4.4846 1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 3.1060 -2.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9341 4.9655 -0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 3 14 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 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 15 1 0 0 0 0 9 26 1 0 0 0 0 10 16 2 0 0 0 0 10 27 1 0 0 0 0 11 17 1 0 0 0 0 11 28 1 0 0 0 0 12 18 2 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 19 2 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 20 40 1 0 0 0 0 M END > DB01237 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NUNIWXHYABYXKF-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1 > InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3 > NUNIWXHYABYXKF-UHFFFAOYSA-N > C17H20BrNO > 334.251 > 333.072826914 > 2 > 40 > 0.9866015468089435 > 33.48323546750788 > 1 > 0 > 0 > 1 > {2-[(4-bromophenyl)(phenyl)methoxy]ethyl}dimethylamine > 4.16 > 4.4206598873333345 > -4.99 > 0 > 1 > 2 > 1 > 8.867087128681348 > 12.47 > 87.54980000000002 > 6 > 1 > 3.45e-03 g/l > tetrahydrofolic acid > 1 $$$$