65814 -OEChem-10061700243D 37 37 0 1 0 0 0 0 0999 V2000 0.7937 0.7708 2.7200 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 0.0577 -2.2857 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6371 -3.1507 0.7358 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -1.3342 0.5929 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3828 0.0803 -0.9033 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1513 1.2448 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3557 -0.9445 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5577 -2.1761 -0.3082 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1595 2.2894 -1.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 0.7946 -0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4984 1.8281 0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0864 -1.8752 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 -0.4651 0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 0.5562 1.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3611 -0.6232 -0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4312 0.2477 -0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 1.4269 1.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 1.2727 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 0.3730 -1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -0.5989 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3604 -1.3137 0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0056 -2.6218 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6102 1.8884 -2.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7342 3.1767 -1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1436 2.6205 -1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 0.2321 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0052 0.1922 -0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2358 1.6690 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 1.9835 0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9315 2.8103 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 1.2220 1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -1.1997 -1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4318 -2.8128 -0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5747 -3.3810 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2158 -1.4321 -1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 2.2307 1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5116 1.9587 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 3 8 1 0 0 0 0 3 34 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 M END > DB13508 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XYCMOTOFHFTUIU-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)NCC(O)COC1=CC(Cl)=CC=C1Cl > InChI=1S/C13H19Cl2NO2/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15/h4-6,10,16-17H,7-8H2,1-3H3 > XYCMOTOFHFTUIU-UHFFFAOYSA-N > C13H19Cl2NO2 > 292.2 > 291.0792843 > 3 > 37 > 30.46115628667897 > 1 > 2 > 0 > 1 > 1-(tert-butylamino)-3-(2,5-dichlorophenoxy)propan-2-ol > 3.47 > 3.082885193666667 > -3.52 > 0 > 1 > 1 > 14.087499606094866 > 9.759522834381428 > 41.489999999999995 > 74.6233 > 6 > 1 > 8.79e-02 g/l > cloranolol > 0 $$$$