1.0 2016-05-22 06:30:16 UTC 2026-08-22 19:38:54 UTC Mivacurium SmallMolecule Mivacurium is an organic compound with the chemical formula C58H80N2O14. Mivacurium belongs to the benzylisoquinolines, a subclass of isoquinolines and derivatives within the organic compounds. With an average molecular weight of 1,029 g/mol, Mivacurium is a heavy molecule. This compound is recorded as a muscle relaxant used in healthcare, pharmaceuticals, and veterinary products, with intravenous administration as the recorded exposure route. Mivacurium interacts with four protein targets: it acts as a partial agonist of the neuronal acetylcholine receptor subunit alpha-2 (CHRNA2), the muscarinic acetylcholine receptor M2 (CHRM2), and the muscarinic acetylcholine receptor M3 (CHRM3). Additionally, it serves as an antagonist/antagonist of cholinesterase (BCHE). C58H80N2O14 1029.2608 1028.560955278 (1R)-2-(3-{[(4E)-8-{3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propoxy}-8-oxooct-4-enoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium mivacurium 133814-19-4 COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1 ILVYCEVXHALBSC-OTBYEXOQSA-N Organic compounds Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Benzylisoquinolines Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Methoxybenzenes Organic cations Organic oxides Organic salts Organopnictogen compounds Phenoxy compounds Tetraalkylammonium salts Tetrahydroisoquinolines Alkyl aryl ether Amine Anisole Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzylisoquinoline Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Quaternary ammonium salt Tetraalkylammonium salt Tetrahydroisoquinoline Aromatic heteropolycyclic compounds isoquinolines Detected and Not Quantified Mivacurium Drug Metabolism Action Pathway SMP0143644 logp -0.76 logp 3.80 ALOGPS logs -7.53 ALOGPS solubility 3.26e-05 g/l ALOGPS logp -0.76 ChemAxon pka_strongest_acidic 18.59 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (1R)-2-(3-{[(4E)-8-{3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propoxy}-8-oxooct-4-enoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium ChemAxon average_mass 1029.2608 ChemAxon mono_mass 1028.560955278 ChemAxon smiles COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC ChemAxon formula C58H80N2O14 ChemAxon inchi InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1 ChemAxon inchikey ILVYCEVXHALBSC-OTBYEXOQSA-N ChemAxon polar_surface_area 144.9 ChemAxon refractivity 308.74 ChemAxon polarizability 116.68 ChemAxon rotatable_bond_count 30 ChemAxon acceptor_count 12 ChemAxon donor_count 0 ChemAxon physiological_charge 2 ChemAxon formal_charge 2 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726c6924f0> DB01226 5281042 4444509 BE0000738 BE0000560 BE0000045 BE0002180