1.0 2026-04-13 20:33:25 UTC 2026-05-14 16:42:24 UTC Cisatracurium SmallMolecule Cisatracurium is an organic compound with the chemical formula C53H72N2O12. Cisatracurium belongs to the benzylisoquinolines, a subclass of isoquinolines and derivatives within the organic compounds. With an average molecular weight of 929.16 g/mol, Cisatracurium is a heavy molecule. This compound is utilized within healthcare, pharmaceuticals, and veterinary products as a muscle relaxant. The recorded route of exposure for this substance is intravenous. In terms of its biological activity, Cisatracurium interacts with 13 recorded protein targets. It functions as an antagonist of the neuronal acetylcholine receptor subunit alpha-3 (CHRNA3), neuronal acetylcholine receptor subunit alpha-5 (CHRNA5), neuronal acetylcholine receptor subunit beta-2 (CHRNB2), and neuronal acetylcholine receptor subunit beta-4 (CHRNB4), as well as 9 other proteins. C53H72N2O12 929.16 928.507428607 96946-41-7 COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2 InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54-,55-/m1/s1 YXSLJKQTIDHPOT-LJCJQEJUSA-N Detected and Not Quantified logp -0.96 average_mass 929.16 ChemAxon mono_mass 928.507428607 ChemAxon smiles COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2 ChemAxon formula C53H72N2O12 ChemAxon inchi InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54-,55-/m1/s1 ChemAxon inchikey YXSLJKQTIDHPOT-LJCJQEJUSA-N ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bafcf8680> DB00565 62887 BE0000850 BE0003586 BE0003584 BE0003585 BE0002341 BE0000849 BE0003588 BE0000738 BE0003587 BE0000411 BE0002343 BE0004661 BE0000560