Ketcher 04111815122D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 10.0158 -5.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0158 -6.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8705 -6.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7252 -6.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7252 -5.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8705 -4.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1108 -4.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2561 -5.2169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5799 -6.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1108 -3.7589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4346 -6.2727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2893 -6.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5799 -7.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4043 -4.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2695 -6.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2759 -7.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2149 -8.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0666 -7.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0297 -6.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1410 -6.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9471 -8.1325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8037 -7.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1041 -5.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2155 -4.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9559 -4.6516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9190 -3.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0304 -3.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7708 -3.1123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9935 -2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7338 -2.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8452 -1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8083 -0.6322 0.0000 Cl 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 1 7 1 0 0 0 7 8 1 0 0 0 4 9 1 0 0 0 7 10 2 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 9 13 2 0 0 0 8 14 1 0 0 0 8 15 1 0 0 0 12 16 2 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 12 20 1 0 0 0 18 21 1 0 0 0 21 22 1 0 0 0 24 23 2 0 0 0 25 23 1 0 0 0 20 23 1 0 0 0 27 26 1 0 0 0 28 26 2 0 0 0 29 27 2 0 0 0 30 28 1 0 0 0 31 29 1 0 0 0 31 30 2 0 0 0 25 26 1 0 0 0 31 32 1 0 0 0 M END > CHEBI:140421 > betrixaban > A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade. > 3 > PRT054021; PRT 054021 > N-(5-chloropyridin-2-yl)-2-[4-(N,N-dimethylcarbamimidoyl)benzamido]-5-methoxybenzamide > betrixaban > C23H22ClN5O3 > 451.906 > 451.14112 > 0 > C1(=CC=C(C=C1)C(NC2=CC=C(C=C2C(=O)NC=3C=CC(=CN3)Cl)OC)=O)C(N(C)C)=N > InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31) > XHOLNRLADUSQLD-UHFFFAOYSA-N > 330942-05-7 > 15486817 > 330942-05-7 > D08873 > 19297154; 23964817; 24344662; 26170684; 27232649; 27809616; 27824409; 27881569; 27974029; 27974030; 28032972; 28032973; 28193799; 28267480; 28294628; 28617144; 28698258; 28743769; 28808888; 28840662; 29092766; 29119147; 29171776; 29188425; 29212126; 29226697; 29279341; 29294463; 29338293; 29386864; 29434384; 29503590; 29543384; 29594815; 29609697 $$$$