CDK 0306170844 28 27 0 0 0 0 0 0 0 0999 V2000 15.2765 -8.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5753 -9.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0190 -9.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2765 -7.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8740 -8.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0190 -9.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9777 -7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3178 -10.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1728 -9.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8740 -7.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7202 -7.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3178 -11.1369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4214 -7.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7202 -8.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6165 -11.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1640 -7.7545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8740 -11.1781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6165 -12.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9064 -7.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2141 -11.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4716 -11.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6077 -6.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8740 -10.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5753 -9.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1728 -9.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3125 -8.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4905 -6.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2464 -11.3019 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 24 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 24 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 6 8 2 0 0 0 0 19 22 1 0 0 0 0 17 23 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 23 25 1 0 0 0 0 1 4 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 M END > CHEBI:31385 > Celiprolol hydrochloride > 2 > Celiprolol hydrochloride > C20H34ClN3O4; C20H33N3O4.HCl > 415.955 > 415.22378 > 0 > C=1(C(=CC(NC(N(CC)CC)=O)=CC1)C(C)=O)OCC(CNC(C)(C)C)O.Cl > InChI=1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H > VKJHTUVLJYWAEY-UHFFFAOYSA-N > 57470-78-7 > D01741 $$$$