21138 -OEChem-09301815393D 40 41 0 1 0 0 0 0 0999 V2000 -0.4094 1.4781 0.6794 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8054 2.0272 1.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9712 -0.4984 -0.7232 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8081 1.5763 0.6219 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9942 0.0572 0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0934 -1.9495 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5086 2.0259 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -2.5590 0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -2.4900 -2.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7215 1.1997 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 0.1579 0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7452 -0.0914 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 1.9848 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3224 -0.6422 1.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0077 0.7084 -1.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 1.7394 -1.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 -1.1333 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -1.6730 1.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3326 -1.9180 1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6526 2.0583 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9443 -0.1830 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2071 -0.3543 1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0424 -2.2329 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7284 -0.0954 -1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4359 3.1187 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 1.7155 -1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -3.6435 -0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9744 -2.1563 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0581 -2.4163 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9515 -2.0670 -2.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2347 -3.5790 -2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1884 -2.2531 -2.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6571 1.7731 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3761 2.8230 -1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4391 -0.4781 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8946 0.5359 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 2.3559 -2.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5062 -1.3430 -0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9767 -2.2849 2.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0085 -2.7209 1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 M END > DB03322 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AQHHHDLHHXJYJD-CQSZACIVSA-N/SDF?record_type=3d > CC(C)NC[C@@H](O)COC1=CC=CC2=C1C=CC=C2 > InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1 > AQHHHDLHHXJYJD-CQSZACIVSA-N > C16H21NO2 > 259.3434 > 259.157228921 > 3 > 40 > 30.047011235253866 > 1 > 2 > 0 > 1 > (2R)-1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol > 3.03 > 2.5836959293333335 > -3.51 > 0 > 2 > 1 > 14.087930079742037 > 9.666166403559243 > 41.489999999999995 > 76.8257 > 6 > 1 > 7.94e-02 g/l > (+)-propranolol > 0 $$$$