H1_Bepotastine RDKit 3D 52 54 0 0 1 0 0 0 0 0999 V2000 6.2601 3.8627 -0.7580 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 0.2169 -0.1032 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2627 2.0029 -1.7812 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8739 -0.0429 -1.1421 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2826 0.1387 1.0997 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -2.0119 -1.2138 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4341 -0.2713 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 -0.5144 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9255 0.7694 1.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8345 -0.8975 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 0.3674 2.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5811 -0.1850 1.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7574 -0.2607 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 -0.2099 0.5040 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9298 1.0111 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 0.8232 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3687 -1.6155 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9935 1.1819 1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1185 1.4155 -1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1061 0.8976 -1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0746 -2.4482 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9873 2.1194 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1084 2.3564 -1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4496 -3.7187 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 2.7045 -0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4252 -3.2455 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1214 -4.1271 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2263 -1.2199 1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6364 0.3807 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1831 -1.3082 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1894 0.8975 2.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0042 1.7496 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5642 -1.0250 -0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7343 -1.8665 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1498 -0.5299 2.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6054 1.1766 2.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5185 -1.1314 2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8272 0.5917 2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6514 -1.1306 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6737 -0.4399 1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 -0.2159 1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0945 1.8686 0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0396 1.1941 -0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9687 0.7355 2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 1.1402 -1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3355 -2.1177 1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 2.3889 1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1451 2.8085 -2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9993 -4.3824 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 -3.5132 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 -5.1069 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0410 1.8004 -2.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 2 7 1 0 2 14 1 0 3 20 1 0 3 52 1 0 4 20 2 0 5 10 1 0 5 11 1 0 5 12 1 0 6 17 2 0 6 26 1 0 7 8 1 0 7 9 1 0 7 28 1 0 8 10 1 0 8 29 1 0 8 30 1 0 9 11 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 13 1 0 12 37 1 0 12 38 1 0 13 15 1 0 13 39 1 0 13 40 1 0 14 16 1 0 14 17 1 0 14 41 1 1 15 20 1 0 15 42 1 0 15 43 1 0 16 18 2 0 16 19 1 0 17 21 1 0 18 22 1 0 18 44 1 0 19 23 2 0 19 45 1 0 21 24 2 0 21 46 1 0 22 25 2 0 22 47 1 0 23 25 1 0 23 48 1 0 24 27 1 0 24 49 1 0 26 27 2 0 26 50 1 0 27 51 1 0 M END > (1) H1_Bepotastine > (1) [H]OC(=O)C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(OC([H])(c2nc([H])c([H])c([H])c2[H])c2c([H])c([H])c(Cl)c([H])c2[H])C([H])([H])C1([H])[H] > (1) 2350 > (1) N > (1) InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m1/s1 > (1) 49.1758 $$$$ H1_Quifenadine RDKit 3D 45 48 0 0 1 0 0 0 0 0999 V2000 0.1106 0.2102 -1.7897 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4646 1.0770 -0.0854 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0931 -1.1209 0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 0.1166 0.3820 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0299 1.3864 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 -1.0339 -1.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 -1.0584 1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 0.2772 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 0.2796 1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 0.1255 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1272 1.3230 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9736 -1.1857 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 2.0636 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3454 -2.0428 -1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1533 1.6708 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3459 -1.5543 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9065 3.1310 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0526 -3.2227 -0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 2.7377 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0493 -2.7364 1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8897 3.4721 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4022 -3.5700 0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 -2.0675 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9532 0.0967 1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6691 1.9630 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 2.0685 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0851 -1.1104 -2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4846 -1.8820 -1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9137 -1.8918 1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 -1.1596 2.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6485 0.0638 -1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2467 0.8670 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 0.8576 1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0353 0.0986 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 1.1516 -2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3059 1.8245 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 -1.7976 -2.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2926 1.0941 -1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 -0.9178 2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8179 3.6927 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3308 -3.8683 -1.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 2.9864 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -3.0022 2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5643 4.2999 0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 -4.4872 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 1 35 1 0 2 5 1 0 2 8 1 0 2 9 1 0 3 4 1 0 3 6 1 0 3 7 1 0 3 23 1 0 4 5 1 0 4 10 1 0 4 24 1 1 5 25 1 0 5 26 1 0 6 8 1 0 6 27 1 0 6 28 1 0 7 9 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 11 1 0 10 12 1 0 11 13 2 0 11 15 1 0 12 14 2 0 12 16 1 0 13 17 1 0 13 36 1 0 14 18 1 0 14 37 1 0 15 19 2 0 15 38 1 0 16 20 2 0 16 39 1 0 17 21 2 0 17 40 1 0 18 22 2 0 18 41 1 0 19 21 1 0 19 42 1 0 20 22 1 0 20 43 1 0 21 44 1 0 22 45 1 0 M END > (2) H1_Quifenadine > (2) [H]OC(c1c([H])c([H])c([H])c([H])c1[H])(c1c([H])c([H])c([H])c([H])c1[H])C1([H])C([H])([H])N2C([H])([H])C([H])([H])C1([H])C([H])([H])C2([H])[H] > (2) 65600 > (2) N > (2) InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19,22H,11-15H2/t19-/m1/s1 > (2) 84.891 $$$$ H1_Rupatadine RDKit 3D 56 60 0 0 0 0 0 0 0 0999 V2000 6.5298 3.3080 0.0562 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 1.1440 -0.1081 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8055 -2.5028 1.6263 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5347 -0.2932 -1.5666 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 0.2017 0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 -0.6401 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1325 1.6779 0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 -0.2907 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9697 1.9571 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 -0.3064 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2065 1.4670 -1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 0.5760 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9383 -1.7730 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 0.4917 -0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6248 -0.5108 -1.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 -1.4219 -1.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 -2.3194 -0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5656 0.8945 -0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2715 1.4705 1.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8769 1.3617 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -3.7014 -0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3729 2.3200 1.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 2.2679 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1566 1.0467 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3042 0.2290 -1.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2947 -4.4730 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -3.8347 1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4311 0.5316 0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0633 -0.1364 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0626 0.6338 2.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 -1.7154 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1596 -0.4557 1.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2119 1.9818 1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9793 2.3217 0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4699 -0.5848 -1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 -0.8992 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 3.0211 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5727 1.7824 -1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8776 1.1445 -2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 2.5558 -1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 0.0536 -2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5182 -1.1506 -1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 -2.0361 -2.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4795 -0.8292 -2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6674 1.5029 2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5326 1.3154 -1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6741 -4.1805 -1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6043 3.0064 2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 1.5606 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9162 0.0859 -2.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 -5.5486 0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8762 -4.3969 2.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0471 -0.5796 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1536 0.6818 1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7913 -0.2348 2.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7355 1.5422 2.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 2 8 1 0 2 9 1 0 2 11 1 0 3 13 2 0 3 27 1 0 4 25 2 0 4 29 1 0 5 6 1 0 5 7 1 0 5 10 2 3 6 8 1 0 6 31 1 0 6 32 1 0 7 9 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 12 1 0 10 13 1 0 11 18 1 0 11 39 1 0 11 40 1 0 12 14 2 0 12 19 1 0 13 17 1 0 14 15 1 0 14 20 1 0 15 16 1 0 15 41 1 0 15 42 1 0 16 17 1 0 16 43 1 0 16 44 1 0 17 21 2 0 18 24 2 0 18 25 1 0 19 22 2 0 19 45 1 0 20 23 2 0 20 46 1 0 21 26 1 0 21 47 1 0 22 23 1 0 22 48 1 0 24 28 1 0 24 49 1 0 25 50 1 0 26 27 2 0 26 51 1 0 27 52 1 0 28 29 2 0 28 30 1 0 29 53 1 0 30 54 1 0 30 55 1 0 30 56 1 0 M END > (3) H1_Rupatadine > (3) [H]c1nc2c(c([H])c1[H])C([H])([H])C([H])([H])c1c([H])c(Cl)c([H])c([H])c1C2=C1C([H])([H])C([H])([H])N(C([H])([H])c2c([H])nc([H])c(C([H])([H])[H])c2[H])C([H])([H])C1([H])[H] > (3) 133017 > (3) N > (3) InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3 > (3) 119.976 $$$$