5405 -OEChem-10051719133D 76 79 0 1 0 0 0 0 0999 V2000 2.6482 0.0636 -1.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2219 -3.3124 -1.9908 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 -2.3519 0.9006 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3313 -0.6131 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3205 -2.0794 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8982 -0.0714 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2164 0.2308 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3574 -2.9118 0.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0175 -0.9702 1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -3.1868 1.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6515 -0.3252 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2171 1.7417 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3725 -2.9024 1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -3.2052 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 -0.9308 -1.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 2.1985 1.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -0.2232 0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 2.6546 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0794 -2.9599 -0.6134 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4794 -1.4345 -1.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 3.5680 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7257 -0.7267 0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3213 4.0242 -0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 -1.5280 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2529 -1.3323 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 4.4809 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8181 2.5291 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3713 1.1156 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6505 -1.2357 0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8355 -0.4985 -1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0694 0.0861 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2543 0.8232 -0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9585 3.5962 -0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7928 2.9614 1.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2756 2.7255 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7115 -0.5975 1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3146 -2.5307 0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0218 -2.1744 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4727 -0.0121 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 0.9358 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7285 -2.9698 1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3506 -3.9327 0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -0.5413 1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2902 -0.9287 2.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7768 -3.0497 2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7285 -4.2487 1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0193 -3.5486 1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6534 -1.8754 1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8839 0.6542 -1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 -2.6235 -0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -4.2549 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6078 -1.0315 -2.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0424 1.5203 2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0398 0.2280 1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4224 2.3318 -2.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7314 -3.6340 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 -1.9071 -2.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 3.9240 2.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3269 -0.6506 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4066 4.7352 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2652 -1.7254 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2216 5.5473 0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2036 -2.0275 0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9682 -0.7067 -1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1098 -3.0431 -2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9418 0.2853 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6763 1.5835 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3483 4.6077 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9184 3.5928 -0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9668 3.4252 -1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0937 4.0089 1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4736 2.3589 2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 2.8509 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9955 2.1170 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3524 2.4423 -1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5949 3.7700 -0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 49 1 0 0 0 0 2 19 1 0 0 0 0 2 65 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 36 1 0 0 0 0 5 8 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 9 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 13 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 16 2 0 0 0 0 12 18 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 19 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 20 1 0 0 0 0 15 52 1 0 0 0 0 16 21 1 0 0 0 0 16 53 1 0 0 0 0 17 22 2 0 0 0 0 17 54 1 0 0 0 0 18 23 2 0 0 0 0 18 55 1 0 0 0 0 19 24 1 0 0 0 0 19 56 1 0 0 0 0 20 25 2 0 0 0 0 20 57 1 0 0 0 0 21 26 2 0 0 0 0 21 58 1 0 0 0 0 22 25 1 0 0 0 0 22 59 1 0 0 0 0 23 26 1 0 0 0 0 23 60 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 0 0 0 0 27 35 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 31 1 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 30 64 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 M END > DB00342 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GUGOEEXESWIERI-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3 > GUGOEEXESWIERI-UHFFFAOYSA-N > C32H41NO2 > 471.6734 > 471.313729561 > 3 > 76 > 56.45178022243013 > 1 > 2 > 0 > 0 > 1-(4-tert-butylphenyl)-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butan-1-ol > 5.89 > 6.4791090759999985 > -6.01 > 1 > 4 > 1 > 14.524962934427215 > 13.197068104137273 > 9.02298591531735 > 43.7 > 146.26740000000007 > 9 > 0 > 4.58e-04 g/l > terfenadine > 0 $$$$