1.0 2016-05-22 03:43:58 UTC 2026-05-14 16:58:33 UTC Naloxone SmallMolecule Naloxone belongs to the phenanthrenes and derivatives, a class of benzenoids within the organic compounds. It has the chemical formula C19H21NO4 and an average molecular weight of 327.37 g/mol. Biologically, the compound serves as an antidote (PMC3795186). Its protein targets include six recorded proteins, acting as an antagonist, binder, or inhibitor of the Mu-type opioid receptor (OPRM1), Estrogen receptor (ESR1), Delta-type opioid receptor (OPRD1), Kappa-type opioid receptor (OPRK1), and two other proteins. The compound is found in or released from seven recorded sources. These include pharmaceuticals, veterinary products, and healthcare items such as analgesics, drugs for constipation, and unclassified therapeutic products. It is also associated with electrical and electronic equipment, specifically antennas and amplifiers, as well as household cleaning and consumer products, including other smoking requisites and non-electric simulated smoking devices. Recorded exposure routes for naloxone include buccal, intramuscular, intravenous, nasal, oral, parenteral, subcutaneous, sublingual, and topical administration. Additionally, the compound is used in plastics, specifically in Polyamide, Low-Density Polyethylene, and High-Density Polyethylene. C19H21NO4 327.3743 327.147058165 (1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-14-one naloxone 465-65-6 [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC=C)[C@]([H])(C4)[C@]1(O)CCC2=O InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 UZHSEJADLWPNLE-GRGSLBFTSA-N Organic compounds Benzenoids Phenanthrenes and derivatives Phenanthrenes and derivatives 1,2-aminoalcohols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Azacyclic compounds Coumarans Cyclic alcohols and derivatives Hydrocarbon derivatives Isoquinolones and derivatives Ketones Organic oxides Organopnictogen compounds Oxacyclic compounds Piperidines Tertiary alcohols Tetralins Trialkylamines 1,2-aminoalcohol 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Carbonyl group Coumaran Cyclic alcohol Ether Hydrocarbon derivative Isoquinolone Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenanthrene Piperidine Tertiary alcohol Tertiary aliphatic amine Tertiary amine Tetralin Aromatic heteropolycyclic compounds morphinane alkaloid organic heteropentacyclic compound Detected and Not Quantified Naloxone Action Pathway SMP0000688 Naloxone Opioid Antagonist Action Pathway SMP0126328 Naloxone Drug Metabolism Action Pathway SMP0143602 logp 1.62 logp 1.47 ALOGPS logs -1.76 ALOGPS solubility 5.64e+00 g/l ALOGPS logp 1.62 ChemAxon pka_strongest_acidic 7.27 ChemAxon pka_strongest_basic 10.63 ChemAxon iupac (1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-14-one ChemAxon average_mass 327.3743 ChemAxon mono_mass 327.147058165 ChemAxon smiles [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC=C)[C@]([H])(C4)[C@]1(O)CCC2=O ChemAxon formula C19H21NO4 ChemAxon inchi InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 ChemAxon inchikey UZHSEJADLWPNLE-GRGSLBFTSA-N ChemAxon polar_surface_area 70 ChemAxon refractivity 88.72 ChemAxon polarizability 33.8 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bd3cd0b48> DB01183 5284596 4447644 BE0000770 BE0000123 BE0000420 BE0000632 BE0002442 BE0002705