44517831 -OEChem-10051722403D 72 76 0 1 0 0 0 0 0999 V2000 0.1994 2.4510 -8.3267 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -1.2241 1.2088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 -0.0382 1.8152 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3329 -2.3179 -2.0819 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3001 1.9123 2.8755 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2399 -3.4426 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9335 -1.3711 -1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 -2.6248 -1.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1384 -3.6258 -2.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8507 -2.0378 0.3489 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1680 -3.3400 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 -4.2663 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3887 -1.6573 -3.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4081 -0.3572 -3.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7299 -0.2460 1.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3521 0.3945 -4.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 0.5601 2.7655 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5670 0.6707 1.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3627 -0.0554 4.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 2.7558 3.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4991 2.4966 1.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3037 0.1451 -5.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 1.3385 -4.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0052 4.1603 3.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 3.8926 1.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2747 4.8124 2.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 0.8399 -6.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7022 2.0335 -6.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 -0.1661 4.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5992 -0.5057 4.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2494 1.7841 -7.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6611 -0.7271 6.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7055 -1.0667 5.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5753 -1.1773 6.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1811 -3.9173 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 -0.4336 -1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9729 -1.1822 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5585 -3.2354 -2.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -1.6860 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 -3.3825 -2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6839 -4.2792 -2.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8618 -2.1461 0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 -4.3424 -0.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -2.8113 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -5.2911 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -4.3513 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0137 -2.3687 -4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4442 -1.4771 -3.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4687 -0.5308 -3.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0673 0.3525 -2.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0536 -0.3140 1.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3325 1.3099 2.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 0.9516 0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7029 2.3600 4.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5769 2.8911 3.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 2.6410 0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1601 1.9215 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 -0.5900 -5.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3999 1.5399 -4.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6856 4.7840 4.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9403 4.1046 4.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1304 3.8181 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2122 4.3273 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7869 5.7706 2.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 5.0260 2.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7402 0.1787 4.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 -0.4356 4.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9927 0.6456 -7.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4834 2.7681 -6.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 -0.8130 6.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 -1.4158 6.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -1.6136 7.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 3 15 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 35 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 11 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 12 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 11 43 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 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 17 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 29 2 0 0 0 0 19 30 1 0 0 0 0 20 24 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 25 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 27 1 0 0 0 0 22 58 1 0 0 0 0 23 28 2 0 0 0 0 23 59 1 0 0 0 0 24 26 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 31 2 0 0 0 0 27 68 1 0 0 0 0 28 31 1 0 0 0 0 28 69 1 0 0 0 0 29 32 1 0 0 0 0 29 66 1 0 0 0 0 30 33 2 0 0 0 0 30 67 1 0 0 0 0 32 34 2 0 0 0 0 32 70 1 0 0 0 0 33 34 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 M CHG 1 4 1 M END > DB12115 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FNYFFCOCVNTJCD-NNMXADRKSA-N/SDF?record_type=3d > C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCC3=CC=C(F)C=C3)CCC1CC2)C1=CC=CC=C1 > InChI=1S/C29H38FN2O2/c1-29(25-8-4-2-5-9-25,31-17-6-3-7-18-31)28(33)34-27-22-32(20-15-24(27)16-21-32)19-14-23-10-12-26(30)13-11-23/h2,4-5,8-13,24,27H,3,6-7,14-22H2,1H3/q+1/t24?,27-,29-,32?/m0/s1 > FNYFFCOCVNTJCD-NNMXADRKSA-N > C29H38FN2O2 > 465.633 > 465.291183055 > 2 > 72 > 51.98649069982439 > 1 > 0 > 1 > 0 > (3R)-1-[2-(4-fluorophenyl)ethyl]-3-{[(2S)-2-phenyl-2-(piperidin-1-yl)propanoyl]oxy}-1-azabicyclo[2.2.2]octan-1-ium > 3.60 > 1.4027568971949198 > -7.07 > 1 > 5 > 2 > 6.714097063328434 > 29.54 > 145.5229 > 8 > 1 > 4.23e-05 g/l > (3R)-1-[2-(4-fluorophenyl)ethyl]-3-{[(2S)-2-phenyl-2-(piperidin-1-yl)propanoyl]oxy}-1-azabicyclo[2.2.2]octan-1-ium > 1 $$$$