1.0 2016-06-03 10:24:35 UTC 2026-08-19 15:34:54 UTC zimeldine SmallMolecule Zimeldine is an organic compound with the formula C16H17BrN2 and an average molecular weight of 317.23 g/mol. It is classified as a benzenoid. Specifically, zimeldine belongs to the styrenes, a subclass of benzene and substituted derivatives within the organic compounds. Regarding its biological activity, zimeldine acts as an inhibitor for three protein targets: the sodium-dependent serotonin transporter (SLC6A4), amine oxidase [flavin-containing] A (MAOA), and amine oxidase [flavin-containing] B (MAOB). In terms of environmental presence, the compound has been recorded in indoor air, dust, and atmospheric transport. The recorded exposure route for this substance is inhalation. Human Neurotoxin C16H17BrN2 317.23 316.057512 [(2Z)-3-(4-bromophenyl)-3-(pyridin-3-yl)prop-2-en-1-yl]dimethylamine zimelidine 56775-88-3 [H]\C(CN(C)C)=C(/C1=CC=C(Br)C=C1)C1=CN=CC=C1 InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9- OYPPVKRFBIWMSX-SXGWCWSVSA-N Organic compounds Benzenoids Benzene and substituted derivatives Styrenes Styrenes Aryl bromides Azacyclic compounds Bromobenzenes Heteroaromatic compounds Hydrocarbon derivatives Organobromides Organopnictogen compounds Pyridines and derivatives Trialkylamines Amine Aromatic heteromonocyclic compound Aryl bromide Aryl halide Azacycle Bromobenzene Halobenzene Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organobromide Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyridine Styrene Tertiary aliphatic amine Tertiary amine Aromatic heteromonocyclic compounds Detected and Not Quantified Zimelidine Drug Metabolism Action Pathway SMP0143916 logp 3.51 logp 3.39 ALOGPS logs -4.12 ALOGPS solubility 2.39e-02 g/l ALOGPS logp 3.51 ChemAxon pka_strongest_basic 8.62 ChemAxon iupac [(2Z)-3-(4-bromophenyl)-3-(pyridin-3-yl)prop-2-en-1-yl]dimethylamine ChemAxon average_mass 317.23 ChemAxon mono_mass 316.057512 ChemAxon smiles [H]\C(CN(C)C)=C(/C1=CC=C(Br)C=C1)C1=CN=CC=C1 ChemAxon formula C16H17BrN2 ChemAxon inchi InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9- ChemAxon inchikey OYPPVKRFBIWMSX-SXGWCWSVSA-N ChemAxon polar_surface_area 16.13 ChemAxon refractivity 93.94 ChemAxon polarizability 31.38 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7279767940> DB04832 5365247 4517305 BE0000749 BE0002196 BE0002198