65948 -OEChem-10051722063D 77 81 0 1 0 0 0 0 0999 V2000 0.1589 -0.4586 -2.1685 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 1.4952 -3.0377 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2443 1.7420 0.9054 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5828 -0.0146 2.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -4.0527 2.4704 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3982 -4.3170 0.9584 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4986 0.0714 -1.0196 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4381 -1.2589 -2.0794 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9405 -1.3023 -3.9241 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 -3.5813 1.6543 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1683 -0.0800 -2.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8445 1.0768 -1.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 -0.9213 -2.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 0.4031 -0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6822 -0.6805 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1180 1.7738 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1357 0.4353 -2.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4076 -0.0851 -1.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7537 0.3459 -0.4828 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0233 -1.4490 0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2468 2.4950 -0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0190 -0.8626 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1718 2.2551 0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1757 -0.0357 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2293 -0.8755 -2.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 -0.2443 0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9343 -0.8289 -0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7315 -2.4423 1.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4377 3.7515 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7272 -1.8560 0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3627 3.5117 1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0835 -2.6459 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 4.2599 0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6813 0.5408 1.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6739 -1.6247 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9609 0.5970 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 -1.3089 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 -2.1721 1.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0462 0.0496 2.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0547 -1.3349 2.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 2.7022 1.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 3.9814 1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7201 2.9455 2.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1688 0.0181 -3.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1633 1.7558 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4948 1.6752 -2.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1595 -1.0206 -2.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0636 -1.9236 -1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3597 0.4727 -1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6974 1.4438 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9778 -1.3032 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9839 2.1174 -1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5313 -0.2627 -1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2947 1.6882 0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2311 -3.0546 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3189 4.3350 -0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7794 -2.0159 0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6324 3.9048 1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 -1.8505 -2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 -3.4191 1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 5.2378 1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -2.2683 0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 1.6767 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 -0.9512 -1.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6760 -0.9638 0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3517 -2.4039 -0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -1.0412 -4.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6096 -1.8861 -4.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5884 0.7015 2.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7796 -1.7255 2.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 2.3057 2.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8619 4.7351 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9135 3.7747 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3927 4.4008 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1335 3.2078 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2502 2.0669 2.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6317 3.7628 3.0518 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 17 2 0 0 0 0 3 34 1 0 0 0 0 3 41 1 0 0 0 0 4 34 2 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 25 1 0 0 0 0 8 27 1 0 0 0 0 8 59 1 0 0 0 0 9 25 1 0 0 0 0 9 67 1 0 0 0 0 9 68 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 15 20 2 0 0 0 0 15 22 1 0 0 0 0 16 21 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 25 2 0 0 0 0 19 24 1 0 0 0 0 19 26 1 0 0 0 0 19 50 1 0 0 0 0 20 28 1 0 0 0 0 20 51 1 0 0 0 0 21 29 1 0 0 0 0 21 52 1 0 0 0 0 22 30 2 0 0 0 0 22 53 1 0 0 0 0 23 31 2 0 0 0 0 23 54 1 0 0 0 0 24 27 2 0 0 0 0 24 34 1 0 0 0 0 26 35 2 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 28 32 2 0 0 0 0 28 55 1 0 0 0 0 29 33 2 0 0 0 0 29 56 1 0 0 0 0 30 32 1 0 0 0 0 30 57 1 0 0 0 0 31 33 1 0 0 0 0 31 58 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 35 38 1 0 0 0 0 35 62 1 0 0 0 0 36 39 2 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 40 70 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 M CHG 2 5 -1 10 1 M END > DB09230 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZKFQEACEUNWPMT-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)OC(=O)C1=C(C)NC(N)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3 > ZKFQEACEUNWPMT-UHFFFAOYSA-N > C33H34N4O6 > 582.657 > 582.247834831 > 7 > 77 > 60.76202843942052 > 0 > 2 > 0 > 0 > 3-[1-(diphenylmethyl)azetidin-3-yl] 5-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate > 5.12 > 5.573038494333335 > -5.85 > 1 > 5 > 0 > 19.965278555922463 > 19.876218641265307 > 6.002134587263092 > 137.03 > 172.06049999999996 > 11 > 0 > 8.20e-04 g/l > azelnidipine > 0 $$$$