Ketcher 12012015512D 1 1.00000 0.00000 0 35 40 0 1 0 999 V2000 7.7246 -3.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1046 -3.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3259 -4.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2217 -5.3959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7189 -3.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1176 -4.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3388 -3.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5969 -5.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6468 -5.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4256 -4.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1544 -3.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2890 -3.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0179 -4.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7966 -5.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8465 -5.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9179 -6.0240 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2217 -6.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0828 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0828 -7.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9439 -8.3789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9454 -9.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8184 -9.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6902 -9.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6922 -8.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8191 -7.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7941 -10.3920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7791 -10.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2818 -9.7303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6105 -8.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1152 -11.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4265 -12.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4114 -12.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0904 -11.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8193 -7.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7679 -10.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 1 5 1 0 0 0 4 6 1 0 0 0 2 3 1 0 0 0 5 7 1 0 0 0 1 2 1 0 0 0 6 7 1 0 0 0 3 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 2 11 2 0 0 0 7 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 6 15 2 0 0 0 9 16 1 0 0 0 4 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 20 25 1 0 0 0 23 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 23 29 1 0 0 0 26 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 27 33 1 0 0 0 29 34 2 0 0 0 27 35 1 6 0 0 M END > CHEBI:166971 > (R)-mosapramine > A 1'-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]hexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-one that has (R)-configuration. > 3 > (8aR)-1'-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]hexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-one > C28H35ClN4O > 479.070 > 478.24994 > 0 > [H][C@]12CCCCN1C1(CCN(CCCN3C4=CC=CC=C4CCC4=CC=C(Cl)C=C34)CC1)C(=O)N2 > InChI=1S/C28H35ClN4O/c29-23-12-11-22-10-9-21-6-1-2-7-24(21)32(25(22)20-23)16-5-15-31-18-13-28(14-19-31)27(34)30-26-8-3-4-17-33(26)28/h1-2,6-7,11-12,20,26H,3-5,8-10,13-19H2,(H,30,34)/t26-/m1/s1 > PXUIZULXJVRBPC-AREMUKBSSA-N $$$$