1.0 2016-05-22 03:46:58 UTC 2026-08-21 19:08:53 UTC Terbinafine SmallMolecule Terbinafine is an organic compound with the chemical formula C21H25N and an average molecular weight of 291.43 g/mol. Terbinafine belongs to the naphthalenes, a class of benzenoids within the organic compounds. This compound has been identified in or released from 31 recorded sources across multiple sectors. These include aquatic systems and sediments, such as seawater, freshwater, surface water, and groundwater, as well as drinking water and water supply sources including bottled water, tap water, desalinated water, and drinking water. It is also found in wastewater, sanitation, and biosolids, specifically in wastewater, industrial wastewater, mine wastewater, and wastewater treatment effluent. Additional sources include marine, shipping, and aquaculture sectors, specifically bilge water and ballast water, and appliances, HVAC, and refrigerants, such as water heaters and water coolers. Furthermore, it is associated with electrical and electronic equipment, including antennas, adjustable resistors, communication cables or conductors, auxiliary devices, electric hearing aids, and three other sources, along with six additional sectors. Recorded routes of exposure for terbinafine include touch, topical, oral, and inhalation. At the molecular level, terbinafine is associated with two recorded protein targets. It acts as an inhibitor of squalene monooxygenase (SQLE) and targets squalene epoxidase ERG1. PMT C21H25N 291.4299 291.198699805 [(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](methyl)(naphthalen-1-ylmethyl)amine terbinafine 91161-71-6 CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12 InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+ DOMXUEMWDBAQBQ-WEVVVXLNSA-N Organic compounds Benzenoids Naphthalenes Naphthalenes Aralkylamines Hydrocarbon derivatives Organopnictogen compounds Trialkylamines Amine Aralkylamine Aromatic homopolycyclic compound Hydrocarbon derivative Naphthalene Organic nitrogen compound Organonitrogen compound Organopnictogen compound Tertiary aliphatic amine Tertiary amine Aromatic homopolycyclic compounds acetylenic compound allylamine antifungal drug enyne naphthalenes tertiary amine Detected and Not Quantified Terbinafine Action Pathway SMP0125118 Terbinafine Metabolism SMP0125122 Terbinafine Drug Metabolism Action Pathway SMP0143294 logp 5.53 logp 5.51 ALOGPS logs -5.60 ALOGPS solubility 7.38e-04 g/l ALOGPS logp 5.53 ChemAxon pka_strongest_basic 8.94 ChemAxon iupac [(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](methyl)(naphthalen-1-ylmethyl)amine ChemAxon average_mass 291.4299 ChemAxon mono_mass 291.198699805 ChemAxon smiles CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12 ChemAxon formula C21H25N ChemAxon inchi InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+ ChemAxon inchikey DOMXUEMWDBAQBQ-WEVVVXLNSA-N ChemAxon polar_surface_area 3.24 ChemAxon refractivity 98.08 ChemAxon polarizability 35.83 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7263136190> DB00857 1549008 1266005 BE0000577 BE0004670