154101 -OEChem-03052113193D 36 37 0 1 0 0 0 0 0999 V2000 -0.1941 2.1277 0.9168 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1159 2.7647 -1.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4563 0.4805 -0.3497 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2347 -0.2385 0.0333 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3444 -1.7269 -0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 0.3962 -0.6743 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5803 -2.3586 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -1.5499 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 -0.0732 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 -0.2702 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 1.8986 -0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4452 -0.7460 0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2645 -0.3797 -1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 -1.3574 1.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4711 -0.9911 -0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6646 -1.4799 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 3.5038 1.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1535 -0.1345 1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4065 -1.8457 -1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4729 -2.3017 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 0.2777 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6968 -3.3904 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4524 -2.3989 1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -1.9494 0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0533 -1.6559 -1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3798 1.4653 -0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 0.0610 1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5213 0.4852 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 -0.6480 1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1235 0.0000 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8058 -1.7320 2.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2603 -1.0856 -1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 -1.9542 0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 3.9891 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 4.0169 1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 3.5447 2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 21 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 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 M END > DB06701 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DUGOZIWVEXMGBE-CHWSQXEVSA-N/SDF?record_type=3d > [H][C@@](C(=O)OC)(C1=CC=CC=C1)[C@@]1([H])CCCCN1 > InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1 > DUGOZIWVEXMGBE-CHWSQXEVSA-N > C14H19NO2 > 233.3062 > 233.141578857 > 2 > 36 > 0.9919155984854046 > 26.15451081764315 > 1 > 1 > 0 > 1 > methyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate > 2.254935081666666 > 0 > 1 > 2 > 1 > 9.088826845099911 > 38.33 > 66.72820000000002 > 4 > 1 > N-demethyldiltiazem > 1 $$$$