Ketcher 08151616262D 1 1.00000 0.00000 0 72 75 0 1 0 999 V2000 6.7214 -7.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7214 -8.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5859 -9.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 -8.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 -7.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5859 -7.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3330 -7.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1976 -7.8677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0621 -7.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9267 -7.8677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7913 -7.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6706 -7.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5353 -7.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5354 -6.3790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6561 -5.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7915 -6.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0621 -6.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9267 -8.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7912 -9.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7912 -10.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6559 -10.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5204 -10.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5204 -9.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6559 -8.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3759 -10.8573 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.4210 -5.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8568 -9.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9922 -8.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 -9.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2632 -8.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 -10.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7900 -18.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6546 -19.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5192 -18.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3838 -19.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2484 -18.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1129 -19.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6546 -20.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2484 -17.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5192 -17.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3838 -20.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6492 -13.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6492 -14.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5137 -15.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3784 -14.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3784 -13.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5137 -13.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2608 -13.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1254 -13.9418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9900 -13.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8545 -13.9418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7191 -13.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5985 -13.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4632 -13.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4632 -12.4532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5840 -11.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7193 -12.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3488 -11.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8545 -14.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7190 -15.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7190 -16.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5837 -16.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4482 -16.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4482 -15.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5837 -14.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3037 -16.9314 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9900 -12.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7847 -15.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9201 -14.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 -15.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -14.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 -16.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 11 16 1 0 0 0 9 17 2 0 0 0 10 18 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 19 24 1 0 0 0 22 25 1 0 0 0 14 26 1 0 0 0 2 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 33 38 2 0 0 0 36 39 2 0 0 0 34 40 1 6 0 0 35 41 1 6 0 0 42 43 2 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 42 47 1 0 0 0 46 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 52 57 1 0 0 0 50 67 2 0 0 0 51 59 1 0 0 0 59 60 1 0 0 0 60 61 2 0 0 0 61 62 1 0 0 0 62 63 2 0 0 0 63 64 1 0 0 0 64 65 2 0 0 0 60 65 1 0 0 0 63 66 1 0 0 0 55 58 1 0 0 0 43 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 70 72 1 0 0 0 M END > CHEBI:133014 > pimavanserin tartrate > A tartrate salt that is the hemitartrate salt of pimavanserin. An atypical antipsychotic that is used for treatment of hallucinations and delusions associated with Parkinson's disease. > 3 > pimavanserin hemitartrate; Bis(1-(4-Fluorobenzyl)-1-(1-methylpiperidin-4-yl)-3-(4-(2-methylpropoxy)benzyl)urea) (2R,3R)-2,3-dihydroxybutanedioate; ACP-103; ACP 103 > bis{N-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-N'-{[4-(2-methylpropoxy)phenyl]methyl}urea} (2R,3R)-2,3-dihydroxybutanedioate; bis(4-{[(4-fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium) (2R,3R)-2,3-dihydroxybutanedioate > Nuplazid > C54H74F2N6O10 > 1005.198 > 1004.54345 > 0 > C1=C(C=CC(=C1)CNC(N(C2CCN(CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C.OC([C@@H]([C@H](C(O)=O)O)O)=O.C1=C(C=CC(=C1)CNC(N(C2CCN(CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C > InChI=1S/2C25H34FN3O2.C4H6O6/c2*1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;5-1(3(7)8)2(6)4(9)10/h2*4-11,19,23H,12-18H2,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1 > RGSULKHNAKTFIZ-CEAXSRTFSA-N > 706782-28-7 > 10410569 > 706782-28-7 > D08969 > Pimavanserin > 16220333; 16469866; 16869120; 17473118; 17495279; 17519387; 17708779; 18534670; 19040345; 19864614; 21256805; 26908168 $$$$