5403 -OEChem-03022113223D 35 35 0 1 0 0 0 0 0999 V2000 -0.4641 0.4115 -2.2065 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -2.6942 0.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1548 1.8786 0.8111 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7284 0.5497 -0.4352 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -0.0718 0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 0.1342 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 0.7843 -0.8374 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1398 0.3874 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6485 -1.5942 0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5934 0.3555 1.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0657 0.3614 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9759 1.3297 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 -0.9847 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 -1.3747 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2475 0.9397 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 -0.4124 0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8044 1.5655 -0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2124 0.4109 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3045 -0.9480 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4064 1.8766 -0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2839 0.1035 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9549 -0.0624 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2486 1.4762 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 -2.0147 0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5599 -1.9129 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -2.0786 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4797 1.4419 1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4793 0.0782 2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -0.1272 2.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 2.3845 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6808 -1.7449 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 0.6513 -2.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5801 -0.7164 0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9076 -2.7821 0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9793 1.4329 1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 32 1 0 0 0 0 2 14 1 0 0 0 0 2 34 1 0 0 0 0 3 15 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 16 33 1 0 0 0 0 M END > DB00871 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XWTYSIMOBUGWOL-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1 > InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3 > XWTYSIMOBUGWOL-UHFFFAOYSA-N > C12H19NO3 > 225.2842 > 225.136493479 > 4 > 35 > 0.9840390981354666 > 24.77512823092838 > 1 > 4 > 0 > 1 > 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol > 0.44103740448867645 > 0 > 1 > 1 > 1 > 10.643105324934302 > 8.858719391629993 > 9.757120586219695 > 72.72 > 63.03590000000001 > 4 > 1 > disodium dexamethasone phosphate(2-) > 0 $$$$