134823895 -OEChem-03032123553D 65 67 0 1 0 0 0 0 0999 V2000 0.1279 0.9067 0.1307 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0212 1.4204 1.4627 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3367 0.5433 1.8466 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6377 2.4300 -0.5714 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 0.6514 -1.8337 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5341 -0.9061 2.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 -3.0062 0.3622 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7125 -3.7253 0.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7307 -0.4058 -0.2437 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1763 2.1080 0.2499 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4342 -0.4935 0.0679 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 -0.9307 0.0376 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2702 -2.3415 -0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8273 -2.4499 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 0.0455 -0.4540 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3920 -1.9605 -2.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2335 -0.5424 -1.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5631 -0.4365 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0063 0.3662 0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8957 1.4402 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8126 -1.1429 1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6048 -0.1723 -1.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 -1.5852 1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8961 -0.6146 -0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 1.7095 1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1457 -1.3211 0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8286 2.6773 2.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1336 1.1920 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2834 3.3670 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2876 1.5321 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4151 3.7635 -0.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4255 2.8328 -1.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 0.5469 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4337 -1.5351 -0.0022 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7213 -1.0756 0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -2.8879 0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1265 -1.0154 1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2902 -2.7221 -0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -3.0291 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4944 -1.8680 -2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -3.4931 -2.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 0.1412 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7203 -2.6330 -1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0963 -1.9975 -3.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 0.1636 -2.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1789 -0.2669 -1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0446 -1.3493 1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4242 0.3786 -1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3002 -2.1296 2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7074 -0.4083 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 1.1393 1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 2.6116 1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1515 -1.6640 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8943 2.5102 3.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6138 3.3791 1.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 3.0836 1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 0.2032 0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4622 4.0439 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5102 4.7804 -1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3149 3.1414 -1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6681 -1.6852 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 -0.4969 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5277 -1.8019 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0612 -0.1172 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2906 -1.7709 2.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 25 1 0 0 0 0 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 33 2 0 0 0 0 6 35 1 0 0 0 0 6 65 1 0 0 0 0 7 36 1 0 0 0 0 8 36 2 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 10 25 1 0 0 0 0 10 28 1 0 0 0 0 10 29 2 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 62 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 26 2 0 0 0 0 23 49 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 30 2 0 0 0 0 28 57 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 61 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 M CHG 2 7 -1 10 1 M END > DB16629 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UBZPNQRBUOBBLN-PWRODBHTSA-N/SDF?record_type=3d > [H][C@@]1(CCCCN1C(=O)OC[N+]1=CC=CC(=C1)C(=O)N[C@@H](CO)C([O-])=O)[C@H](C(=O)OC)C1=CC=CC=C1 > InChI=1S/C25H29N3O8/c1-35-24(33)21(17-8-3-2-4-9-17)20-11-5-6-13-28(20)25(34)36-16-27-12-7-10-18(14-27)22(30)26-19(15-29)23(31)32/h2-4,7-10,12,14,19-21,29H,5-6,11,13,15-16H2,1H3,(H-,26,30,31,32)/t19-,20+,21+/m0/s1 > UBZPNQRBUOBBLN-PWRODBHTSA-N > C25H29N3O8 > 499.52 > 499.195464906 > 6 > 65 > 3.127485464504698e-05 > 50.900974089866295 > 1 > 2 > 0 > 0 > 3-{[(1S)-1-carboxylato-2-hydroxyethyl]carbamoyl}-1-{[(2R)-2-[(1R)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carbonyloxy]methyl}pyridin-1-ium > -2.6908965351384118 > 1 > 0 > 3 > 0 > 12.28564305012155 > 2.5618689415758635 > -2.4455983606955036 > 149.17999999999998 > 137.74909999999997 > 11 > 1 > N-demethyldiltiazem > 0 $$$$