1.0 2016-05-25 18:26:53 UTC 2026-08-22 11:49:03 UTC Pipecuronium SmallMolecule Pipecuronium is an organic compound with the chemical formula C35H62N4O4. Pipecuronium belongs to the steroid esters, a subclass of steroids and steroid derivatives within the organic compounds. With an average molecular weight of 602.89 g/mol, Pipecuronium is a heavy molecule. This compound is associated with four recorded sources, including healthcare, pharmaceuticals, and veterinary products where it is used as a muscle relaxant. It is also found in electrically stimulated smoking devices and household cleaning and consumer products, specifically other smoking requisites, cigar, and cigarettes. The recorded route of exposure for this substance is intravenous. At the molecular level, Pipecuronium interacts with three recorded protein targets. It acts as an antagonist of the neuronal acetylcholine receptor subunit alpha-2 (CHRNA2), as well as the muscarinic acetylcholine receptor M2 (CHRM2) and the muscarinic acetylcholine receptor M3 (CHRM3). C35H62N4O4 602.8912 602.477106492 4-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-13-(4,4-dimethylpiperazin-4-ium-1-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-4-yl]-1,1-dimethylpiperazin-1-ium pipecuronium 68399-58-6 [H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1 InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 OWWLUIWOFHMHOQ-XGHATYIMSA-N Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters Steroid esters Amino acids and derivatives Androstane steroids Azacyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Hydrocarbon derivatives N-methylpiperazines Organic cations Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts Trialkylamines 1,4-diazinane Aliphatic heteropolycyclic compound Amine Amino acid or derivatives Androstane-skeleton Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Hydrocarbon derivative N-alkylpiperazine N-methylpiperazine Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperazine Quaternary ammonium salt Steroid ester Tertiary aliphatic amine Tertiary amine Tetraalkylammonium salt Aliphatic heteropolycyclic compounds steroid ester Detected and Not Quantified Pipecuronium Drug Metabolism Action Pathway SMP0143716 logp -5.3 logp -1.41 ALOGPS logs -6.85 ALOGPS solubility 9.50e-05 g/l ALOGPS logp -5.3 ChemAxon pka_strongest_basic 5.31 ChemAxon iupac 4-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-13-(4,4-dimethylpiperazin-4-ium-1-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-4-yl]-1,1-dimethylpiperazin-1-ium ChemAxon average_mass 602.8912 ChemAxon mono_mass 602.477106492 ChemAxon smiles [H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1 ChemAxon formula C35H62N4O4 ChemAxon inchi InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 ChemAxon inchikey OWWLUIWOFHMHOQ-XGHATYIMSA-N ChemAxon polar_surface_area 59.08 ChemAxon refractivity 193.04 ChemAxon polarizability 72.22 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 2 ChemAxon formal_charge 2 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72223756e0> DB01338 50192 BE0000738 BE0000560 BE0000045