1.0 2016-06-03 11:01:15 UTC 2026-08-19 01:15:44 UTC ambroxol SmallMolecule Ambroxol is an organic compound with the chemical formula C13H18Br2N2O and an average molecular weight of 378.11 g/mol. Ambroxol belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This compound has been identified in or released from 29 recorded sources across various categories. Within electrical and electronic equipment, it is found in antennas, amplifiers, auxiliary devices, discharge lamps, and conductors or conductive bodies characterised by the conductive materials. It is present in household items such as key rings and credit card holders, and in building and construction materials specifically in roofs. In the context of food, food processing, and cookware, it is associated with the processing of meats, food preservation, the preparation of wort, and the preparation of wine or sparkling wine. Ambroxol is also found in drinking water and water supply systems. Among household cleaning and consumer products, it appears in soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, other smoking requisites, and one additional source. The recorded route of exposure for this compound is oral. C13H18Br2N2O 378.108 375.978589 4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol ambroβ 18683-91-5 NC1=C(Br)C=C(Br)C=C1CNC1CCC(O)CC1 InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2 JBDGDEWWOUBZPM-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenylmethylamines Phenylmethylamines 2-bromoanilines Aralkylamines Aryl bromides Benzylamines Bromobenzenes Cyclic alcohols and derivatives Cyclohexanols Cyclohexylamines Dialkylamines Hydrocarbon derivatives Organobromides Organopnictogen compounds Primary amines 2-bromoaniline Alcohol Amine Aniline or substituted anilines Aralkylamine Aromatic homomonocyclic compound Aryl bromide Aryl halide Benzylamine Bromobenzene Cyclic alcohol Cyclohexanol Cyclohexylamine Halobenzene Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organobromide Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylmethylamine Primary amine Secondary alcohol Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds Detected and Not Quantified Ambroxol Drug Metabolism Action Pathway SMP0144098 Ambroxol Predicted Metabolism Pathway SMP0174684 logp 2.65 logp 3.72 ALOGPS logs -4.31 ALOGPS solubility 1.85e-02 g/l ALOGPS logp 2.65 ChemAxon pka_strongest_acidic 15.26 ChemAxon pka_strongest_basic 9.01 ChemAxon iupac 4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol ChemAxon average_mass 378.108 ChemAxon mono_mass 375.978589 ChemAxon smiles NC1=C(Br)C=C(Br)C=C1CNC1CCC(O)CC1 ChemAxon formula C13H18Br2N2O ChemAxon inchi InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2 ChemAxon inchikey JBDGDEWWOUBZPM-UHFFFAOYSA-N ChemAxon polar_surface_area 58.28 ChemAxon refractivity 81.94 ChemAxon polarizability 32.77 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baf6d10e0> DB06742 2132 2047