1.0 2016-05-22 05:25:25 UTC 2026-05-14 19:01:51 UTC Miltefosine SmallMolecule Miltefosine (C21H46NO4P) is an organic compound with an average molecular weight of 407.58 g/mol. Miltefosine belongs to the quaternary ammonium salts, a subclass of organonitrogen compounds within the organic compounds. This substance is identified as a treatment for leishmaniasis (PMC13305352, PMC8270272) and breast cancer (PMC3541582). Regarding its biological activity, it acts as a protein target inhibitor/substrate of ATP-dependent translocase ABCB1 and targets Phospholipase A2 (PLA2G1B). The compound is found in or released from 16 recorded sources. These include healthcare, pharmaceuticals & veterinary products, specifically as antiprotozoals, and food, food processing & cookware for food preservation. It is also associated with building & construction materials such as roofs and floors, and household cleaning & consumer products including tobacco smoke filters and perfumes within detergents and soaps. Additionally, it is found in electrical & electronic equipment, including electrodes, electric switches, emergency protective devices, conductors or conductive bodies characterised by the conductive materials, and colour television systems. The recorded exposure route for this compound is oral. C21H46NO4P 407.576 407.316445963 hexadecyl 2-(trimethylazaniumyl)ethyl phosphate miltex 58066-85-6 CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3 PQLXHQMOHUQAKB-UHFFFAOYSA-N Organic compounds Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Phosphocholines Amines Dialkyl phosphates Hydrocarbon derivatives Organic oxides Organic salts Organooxygen compounds Organopnictogen compounds Tetraalkylammonium salts Aliphatic acyclic compound Alkyl phosphate Amine Dialkyl phosphate Hydrocarbon derivative Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic salt Organooxygen compound Organopnictogen compound Phosphocholine Phosphoric acid ester Tetraalkylammonium salt Aliphatic acyclic compounds phosphocholines phospholipid Detected and Not Quantified Miltefosine Drug Metabolism Action Pathway SMP0144260 Miltefosine Predicted Metabolism Pathway SMP0174772 logp 2.25 logp 2.68 ALOGPS logs -6.32 ALOGPS solubility 2.20e-04 g/l ALOGPS logp 2.25 ChemAxon pka_strongest_acidic 1.88 ChemAxon iupac hexadecyl 2-(trimethylazaniumyl)ethyl phosphate ChemAxon average_mass 407.576 ChemAxon mono_mass 407.316445963 ChemAxon smiles CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C ChemAxon formula C21H46NO4P ChemAxon inchi InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3 ChemAxon inchikey PQLXHQMOHUQAKB-UHFFFAOYSA-N ChemAxon polar_surface_area 58.59 ChemAxon refractivity 125.51 ChemAxon polarizability 50.58 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bd002aa18> DB09031 3599 3473 BE0001032 BE0003997