Ketcher 10221812272D 1 1.00000 0.00000 0 42 45 0 0 0 999 V2000 6.5528 -14.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5528 -15.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4245 -15.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2962 -15.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2962 -14.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4245 -13.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1813 -13.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0478 -14.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8978 -13.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7562 -14.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6277 -13.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6277 -12.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7694 -12.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8978 -12.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5074 -11.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3765 -12.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -12.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0843 -12.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9559 -12.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9559 -10.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0970 -10.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -11.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0843 -13.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9410 -14.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7930 -13.5203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6502 -14.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7930 -12.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6514 -12.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5043 -12.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3760 -12.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3760 -10.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5232 -10.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6515 -11.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5050 -13.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3608 -14.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2162 -13.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0717 -14.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9273 -13.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0717 -15.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2584 -10.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1261 -10.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2583 -9.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 1 6 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 9 14 1 0 0 0 12 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 2 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 17 22 1 0 0 0 18 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 28 33 1 0 0 0 26 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 37 39 2 0 0 0 31 40 1 0 0 0 40 41 1 0 0 0 40 42 2 0 0 0 M END > CHEBI:142433 > cinaciguat > A benzoic acid that is 4-(aminomethyl)benzoic acid in which the amino group is substituted by 4-carboxybutyl and 2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl groups. It is a soluble guanylate cyclase activator, used for the treatment of acute decompensated heart failure. > 3 > BAY582667; BAY 58-2667 > 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid > cinaciguatum; cinaciguat; cinaciguat; cinaciguat > C36H39NO5 > 565.700 > 565.28282 > 0 > C=1C=CC=C(C1)CCC2=CC=C(C=C2)COC3=C(C=CC=C3)CCN(CCCCC(O)=O)CC4=CC=C(C=C4)C(O)=O > InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) > WPYWMXNXEZFMAK-UHFFFAOYSA-N > 329773-35-5 > 9676935 > 329773-35-5 > D07577 > Z90 > Cinaciguat > 18779378; 20067336; 20463019; 20730699; 21856817; 21868716; 22474005; 22713287; 23144773; 24090476; 25200007; 26520063; 27122537; 27853261; 28894114; 29138269; 29653192 $$$$