1.0 2016-05-22 07:17:30 UTC 2026-08-19 10:40:56 UTC Agomelatine SmallMolecule Agomelatine is an organic compound with the formula C15H17NO2 and an average molecular weight of 243.30 g/mol. Agomelatine belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is recorded as being found in or released from two sources: indoor air (air, dust & atmospheric transport) and antidepressants (healthcare, pharmaceuticals & veterinary products). Exposure routes for agomelatine include oral and inhalation. In terms of biological activity, the compound has three recorded protein targets, acting as an agonist or antagonist of the melatonin receptor type 1A (MTNR1A), melatonin receptor type 1B (MTNR1B), and 5-hydroxytryptamine receptor 2C (HTR2C). Agomelatin C15H17NO2 243.301 243.125928793 N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide agomelatine 138112-76-2 COC1=CC2=C(C=CC=C2CCNC(C)=O)C=C1 InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) YJYPHIXNFHFHND-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives N-acetyl-2-arylethylamines Alkyl aryl ethers Anisoles Carbonyl compounds Hydrocarbon derivatives Naphthalenes Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Alkyl aryl ether Anisole Aromatic homopolycyclic compound Benzenoid Carbonyl group Ether Hydrocarbon derivative N-acetyl-2-arylethylamine Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Aromatic homopolycyclic compounds Detected and Not Quantified Agomelatine Serotonin Antagonist Action Pathway SMP0126726 Agomelatine Drug Metabolism Action Pathway SMP0144052 Agomelatine Predicted Metabolism Pathway SMP0174694 logp 2.04 logp 2.83 ALOGPS logs -4.50 ALOGPS solubility 7.76e-03 g/l ALOGPS logp 2.04 ChemAxon pka_strongest_acidic 15.96 ChemAxon pka_strongest_basic -0.94 ChemAxon iupac N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide ChemAxon average_mass 243.301 ChemAxon mono_mass 243.125928793 ChemAxon smiles COC1=CC2=C(C=CC=C2CCNC(C)=O)C=C1 ChemAxon formula C15H17NO2 ChemAxon inchi InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) ChemAxon inchikey YJYPHIXNFHFHND-UHFFFAOYSA-N ChemAxon polar_surface_area 38.33 ChemAxon refractivity 71.64 ChemAxon polarizability 27.18 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7271357088> DB06594 82148 74141 BE0000533 BE0000327 BE0000515