4636 -OEChem-01132115313D 43 44 0 0 0 0 0 0 0999 V2000 -2.1680 -2.1606 0.0819 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9454 0.8751 0.0431 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 -1.0410 -0.6435 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4522 0.3014 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 0.2191 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5967 0.1104 0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4524 -1.0108 0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1331 -1.0664 0.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 1.3427 0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3118 1.3983 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8391 1.7781 -0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3985 -0.3122 0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 -0.4491 -1.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0114 0.0527 1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9732 -0.0563 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 -2.3908 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7662 2.6178 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7281 0.5411 -1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0325 -0.7495 -1.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7075 2.3842 -0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8798 1.8411 -1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 2.3748 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 2.2569 -1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2192 0.1226 1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4453 -0.1086 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -1.3978 0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7232 -0.2842 -2.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0131 -0.0974 -2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5682 -1.5312 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2596 0.9377 1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -0.7655 2.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0994 -2.7768 1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2651 -3.1100 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5795 -2.4076 1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0049 2.7879 1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 2.6156 0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1837 3.4836 0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7736 0.3579 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6771 1.3258 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1144 1.6851 0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6379 -0.6301 -2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7314 -1.5928 -1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7609 -2.8947 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 43 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 2 40 1 0 0 0 0 3 15 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 M END > DB00935 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WYWIFABBXFUGLM-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C > InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) > WYWIFABBXFUGLM-UHFFFAOYSA-N > C16H24N2O > 260.3746 > 260.1888634 > 3 > 43 > 0.9991300907421853 > 30.640301110891063 > 1 > 2 > 0 > 1 > 6-tert-butyl-3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-2,4-dimethylphenol > 3.0323152052087035 > 0 > 1 > 2 > 1 > 10.906928467098338 > 10.149300298695183 > 44.62 > 79.79849999999999 > 3 > 1 > N-demethyldiltiazem > 0 $$$$