3333 -OEChem-10111817423D 44 45 0 1 0 0 0 0 0999 V2000 0.4997 -2.0723 2.1072 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -4.3137 0.4607 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 1.3336 0.1888 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 -0.5967 1.3492 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 2.0032 2.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -1.7309 -0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 2.5531 -0.8986 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4877 0.2730 0.4401 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2730 1.6000 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9143 0.3593 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 -0.8085 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 2.6577 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3462 1.4596 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5591 1.6780 1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 3.9880 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7057 1.6260 -1.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7942 -0.7906 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 -1.9224 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4724 -0.6648 -1.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4662 -2.9020 -0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1728 -1.6443 -2.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 -2.7629 -1.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8679 1.3608 0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2973 -1.6391 1.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8561 0.9557 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 0.0936 1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 3.3621 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1735 4.7858 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 4.2024 -1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4224 4.0303 -0.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2338 2.4660 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3364 0.7391 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6074 1.8293 -2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0993 0.1940 -2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3316 -1.5360 -3.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2132 -3.5162 -2.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0967 2.3730 1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9276 0.6610 1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 -2.5836 1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1115 -1.7391 1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7215 -1.3676 2.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8790 0.9641 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6273 -0.0476 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 1.6357 -1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 5 14 2 0 0 0 0 6 17 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > DB01023 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RZTAMFZIAATZDJ-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC > InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3 > RZTAMFZIAATZDJ-UHFFFAOYSA-N > C18H19Cl2NO4 > 384.254 > 383.069113515 > 3 > 44 > 37.95662451162424 > 1 > 1 > 0 > 1 > 3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate > 4.36 > 3.4404073996666664 > -4.73 > 0 > 2 > 0 > 19.463582374380337 > -6.64240711024957 > 64.63 > 99.19820000000001 > 6 > 1 > 7.15e-03 g/l > felodipine > 0 $$$$