1.0 2016-05-22 07:20:05 UTC 2026-05-14 18:12:18 UTC Arimoclomol SmallMolecule Arimoclomol is an organic compound with the formula C14H20ClN3O3 and an average molecular weight of 313.78 g/mol. Arimoclomol belongs to the pyridinium derivatives, a subclass of pyridines and derivatives within the organic compounds. It is categorized as an organoheterocyclic compound. This substance is recorded as being released from healthcare, pharmaceuticals, and veterinary products, specifically within the category of unclassified nervous system drugs. The recorded route of exposure for this compound is oral. C14H20ClN3O3 313.78 313.1193192 (Z)-N-[(2R)-2-hydroxy-3-(piperidin-1-yl)propoxy]-1-oxo-1λ⁵-pyridine-3-carbonimidoyl chloride (Z)-N-[(2R)-2-hydroxy-3-(piperidin-1-yl)propoxy]-1-oxo-1λ⁵-pyridine-3-carbonimidoyl chloride 289893-25-0 [H][C@](O)(CO\N=C(/Cl)C1=CN(=O)=CC=C1)CN1CCCCC1 InChI=1S/C14H20ClN3O3/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17/h4-5,8-9,13,19H,1-3,6-7,10-11H2/b16-14-/t13-/m1/s1 SGEIEGAXKLMUIZ-XUVDNFPMSA-N Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinium derivatives Pyridinium derivatives 1,2-aminoalcohols Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Piperidines Secondary alcohols Trialkylamines 1,2-aminoalcohol Alcohol Amine Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Pyridinium Secondary alcohol Tertiary aliphatic amine Tertiary amine Aromatic heteromonocyclic compounds Detected and Not Quantified logp -0.44 logp 0.45 ALOGPS logs -3.12 ALOGPS solubility 2.37e-01 g/l ALOGPS logp 0.31 ChemAxon pka_strongest_acidic 14 ChemAxon pka_strongest_basic 9.14 ChemAxon iupac (Z)-N-[(2R)-2-hydroxy-3-(piperidin-1-yl)propoxy]-1-oxo-1λ⁵-pyridine-3-carbonimidoyl chloride ChemAxon average_mass 313.78 ChemAxon mono_mass 313.1193192 ChemAxon smiles [H][C@](O)(CO\N=C(/Cl)C1=CN(=O)=CC=C1)CN1CCCCC1 ChemAxon formula C14H20ClN3O3 ChemAxon inchi InChI=1S/C14H20ClN3O3/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17/h4-5,8-9,13,19H,1-3,6-7,10-11H2/b16-14-/t13-/m1/s1 ChemAxon inchikey SGEIEGAXKLMUIZ-XUVDNFPMSA-N ChemAxon polar_surface_area 70.52 ChemAxon refractivity 83.13 ChemAxon polarizability 32.12 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f6e9888> DB05025