1.0 2016-06-03 11:27:04 UTC 2026-08-20 06:21:53 UTC Hexamidine SmallMolecule Hexamidine is an organic compound with the chemical formula C20H26N4O2 and an average molecular weight of 354.45 g/mol. Hexamidine belongs to the phenol ethers, a class of benzenoids within the organic compounds. In industrial applications, this compound serves as a preservative. It is found in or released from nine recorded sources across several categories. Within healthcare, pharmaceuticals, and veterinary products, it is utilized in antiinfectives, nasal preparations, throat preparations, ophthalmological and otological preparations, as well as antiseptics and disinfectants. In the realm of electrical and electronic equipment, it is associated with television systems and magnets. Additionally, it is found in household cleaning and consumer products, specifically in soap dispensers and non-electric simulated smoking devices. The recorded route of exposure for this substance is topical. Regarding its biological activity, there is one recorded protein target: the HTH-type transcriptional regulator QacR (qacR). C20H26N4O2 354.446 354.205576096 4-{[6-(4-carbamimidoylphenoxy)hexyl]oxy}benzene-1-carboximidamide hexamidine 3811-75-4 NC(=N)C1=CC=C(OCCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24) OQLKNTOKMBVBKV-UHFFFAOYSA-N Organic compounds Benzenoids Phenol ethers Phenol ethers Alkyl aryl ethers Carboxamidines Carboximidamides Hydrocarbon derivatives Organopnictogen compounds Phenoxy compounds Alkyl aryl ether Amidine Aromatic homomonocyclic compound Carboximidamide Carboxylic acid amidine Ether Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Aromatic homomonocyclic compounds aromatic ether guanidines polyether Detected and Not Quantified Hexamidine Drug Metabolism Action Pathway SMP0143875 logp 2.77 logp 1.77 ALOGPS logs -4.40 ALOGPS solubility 1.42e-02 g/l ALOGPS logp 2.77 ChemAxon pka_strongest_basic 12.13 ChemAxon iupac 4-{[6-(4-carbamimidoylphenoxy)hexyl]oxy}benzene-1-carboximidamide ChemAxon average_mass 354.446 ChemAxon mono_mass 354.205576096 ChemAxon smiles NC(=N)C1=CC=C(OCCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 ChemAxon formula C20H26N4O2 ChemAxon inchi InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24) ChemAxon inchikey OQLKNTOKMBVBKV-UHFFFAOYSA-N ChemAxon polar_surface_area 118.2 ChemAxon refractivity 125.13 ChemAxon polarizability 40.85 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72261afd20> DB03808 65130 58639 BE0001268 BE0003959