Ketcher 12041916232D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 13.3754 -10.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7755 -9.6904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0254 -8.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9253 -8.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3752 -10.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8251 -8.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0250 -9.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2756 -8.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3258 -8.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0758 -9.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8257 -9.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5256 -7.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4254 -6.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7257 -6.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7747 -9.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7747 -8.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8749 -8.2406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6246 -8.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4744 -8.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3242 -8.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6246 -10.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9248 -10.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1740 -8.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0239 -8.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0239 -7.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1740 -6.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3242 -7.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6165 -11.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4663 -11.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9477 -7.3549 0.0000 O 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 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 2 11 1 0 0 0 8 12 1 1 0 0 12 13 2 0 0 0 12 14 1 0 0 0 16 15 1 1 0 0 16 17 1 0 0 0 6 17 1 1 0 0 16 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 15 21 1 0 0 0 15 22 2 0 0 0 20 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 20 27 1 0 0 0 21 28 1 0 0 0 28 29 1 0 0 0 4 30 2 0 0 0 M END > CHEBI:3698 > cilazapril > A pyridazinodiazepine resulting from the formal condensation of the carboxy group of cilazaprilat with ethanol. It is a drug used in the treatment of hypertension and heart failure. > 3 > Ro 34-2848; Cilazapril anhydrous > (1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid > cilazaprilum; cilazapril; cilazapril; cilazapril > Vascase; Vascace; Inhibace; Dynorm > C22H31N3O5 > 417.506 > 417.22637 > 0 > C1CC[C@@H](C(N2N1CCC[C@H]2C(=O)O)=O)N[C@H](C(OCC)=O)CCC3=CC=CC=C3 > InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1 > HHHKFGXWKKUNCY-FHWLQOOXSA-N > 88768-40-5 > 88768-40-5 > DB01340 > D07699 > Cilazapril > 18297254; 1836986; 21760854; 24383331; 24754013; 25272892; 28334985; 28445944; 31531043 $$$$