Ketcher 06262013472D 1 1.00000 0.00000 0 37 40 0 1 0 999 V2000 10.0486 -2.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1766 -2.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 -3.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1766 -4.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0485 -4.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4846 -3.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1918 -2.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3777 -3.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4234 -3.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 -4.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2397 -3.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9950 -3.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7502 -3.9143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9950 -2.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9205 -2.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1189 -3.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8145 -3.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8145 -5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1189 -6.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4234 -5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0878 -4.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0878 -5.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 -4.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3325 -4.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5054 -3.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2606 -3.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0158 -3.4783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2606 -4.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0158 -4.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9515 -7.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9515 -6.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7068 -6.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7080 -8.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7132 -9.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7068 -5.5219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4619 -6.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4607 -7.6922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 3 10 1 6 0 0 3 7 1 1 0 0 6 11 1 1 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 14 2 0 0 0 6 15 1 6 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 16 24 1 0 0 0 22 18 1 0 0 0 23 20 1 0 0 0 20 9 1 0 0 0 16 9 1 0 0 0 13 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 26 29 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 30 33 1 0 0 0 33 34 2 0 0 0 32 35 2 0 0 0 32 36 1 0 0 0 33 37 1 0 0 0 M END > CHEBI:155927 > arterolane maleate > The maleic acid salt of arterolane. It is an antimalarial drug used as a fixed combination with piperaquine. > 3 > N-(2-amino-2-methylpropyl)-2-[(1s,4s)-dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decan]-4-yl]acetamide (2Z)-but-2-enedioate > C22H36N2O4.C4H4O4 > 508.612 > 508.27847 > 0 > C1C[C@]2(CC[C@@]1(CC(NCC(N)(C)C)=O)[H])OC3(OO2)C4CC5CC3CC(C5)C4.C(=C\C(=O)O)\C(=O)O > InChI=1S/C22H36N2O4.C4H4O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15;5-3(6)1-2-4(7)8/h14-18H,3-13,23H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15?,16?,17?,18?,21+,22?; > SVDSPJJUJMMDFX-CXCXETQFSA-N > 959520-73-1 > 959520-73-1 > 21148048; 22586253; 26608469; 26818020; 26908796; 29020247 $$$$