1.0 2016-05-22 03:44:54 UTC 2026-05-14 16:46:14 UTC Phentolamine SmallMolecule Phentolamine is an organic compound with the chemical formula C17H19N3O and an average molecular weight of 281.35 g/mol. Phentolamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. The compound is associated with ten recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is found in peripheral vasodilators and unclassified therapeutic products. It is also present in food preservation within food, food processing, and cookware. Other sources include electrical and electronic equipment, such as radio transmission systems, antennas, and electrically stimulated smoking devices, as well as household cleaning and consumer products, including tobacco smoke filters, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices. Recorded exposure routes for phentolamine include intravenous, intramuscular, parenteral, submucosal, and ophthalmic administration. At the molecular level, phentolamine interacts with eight recorded protein targets. It functions as an antagonist/blocker of the Alpha-1A adrenergic receptor (ADRA1A), Alpha-1B adrenergic receptor (ADRA1B), Alpha-1D adrenergic receptor (ADRA1D), and Alpha-2A adrenergic receptor (ADRA2A), in addition to four other proteins. C17H19N3O 281.3523 281.152812245 3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol phentolamine 50-60-2 CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1 InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) MRBDMNSDAVCSSF-UHFFFAOYSA-N Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Alkyldiarylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aminotoluenes Aniline and substituted anilines Azacyclic compounds Carboxamidines Carboximidamides Hydrocarbon derivatives Imidazolines Imidolactams Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds m-Aminophenols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-imidazoline Alkyldiarylamine Amidine Aminophenol Aminotoluene Aniline or substituted anilines Aromatic heteromonocyclic compound Azacycle Benzenoid Carboximidamide Carboxylic acid amidine Hydrocarbon derivative Imidolactam M-aminophenol Monocyclic benzene moiety Organic 1,3-dipolar compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Organopnictogen compound Phenol Propargyl-type 1,3-dipolar organic compound Toluene Aromatic heteromonocyclic compounds imidazoles phenols substituted aniline tertiary amino compound Detected and Not Quantified Phentolamine Drug Metabolism Action Pathway SMP0143136 logp 2.52 logp 2.91 ALOGPS logs -3.02 ALOGPS solubility 2.72e-01 g/l ALOGPS logp 2.52 ChemAxon pka_strongest_acidic 9.78 ChemAxon pka_strongest_basic 9.02 ChemAxon iupac 3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol ChemAxon average_mass 281.3523 ChemAxon mono_mass 281.152812245 ChemAxon smiles CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1 ChemAxon formula C17H19N3O ChemAxon inchi InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) ChemAxon inchikey MRBDMNSDAVCSSF-UHFFFAOYSA-N ChemAxon polar_surface_area 47.86 ChemAxon refractivity 84.25 ChemAxon polarizability 31.37 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727a7cbe08> DB00692 5775 BE0000715 BE0000501 BE0000575 BE0000289 BE0000572 BE0000342 BE0000708 BE0000756