1.0 2016-05-22 05:28:35 UTC 2026-08-19 22:01:51 UTC Metipranolol SmallMolecule Metipranolol is an organic compound with the formula C17H27NO4 and an average molecular weight of 309.40 g/mol. Metipranolol belongs to the phenol esters, a class of benzenoids within the organic compounds. This compound acts as an antagonist of the Beta-1 adrenergic receptor (ADRB1) and the Beta-2 adrenergic receptor (ADRB2). It is found in or released from three recorded sources: electrically stimulated smoking devices, pharmaceuticals and veterinary products including beta blocking agents and miotics and antiglaucoma preparations, and healthcare. The recorded exposure route for this substance is ophthalmic. C17H27NO4 309.4006 309.194008357 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-2,3,6-trimethylphenyl acetate metipranolol 22664-55-7 CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1 InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3 BQIPXWYNLPYNHW-UHFFFAOYSA-N Organic compounds Benzenoids Phenol esters Phenol esters 1,2-aminoalcohols Alkyl aryl ethers Amino acids and derivatives Carbonyl compounds Carboxylic acid esters Dialkylamines Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phenol ethers Phenoxy compounds Secondary alcohols 1,2-aminoalcohol Alcohol Alkyl aryl ether Amine Amino acid or derivatives Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ester Phenol ether Phenoxy compound Secondary alcohol Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds acetate ester aromatic ether propanolamine secondary amino compound Detected and Not Quantified Metipranolol Action Pathway SMP0000667 Metipranolol Action Pathway (New) SMP0126208 Metipranolol Drug Metabolism Action Pathway SMP0143632 logp 2.74 logp 2.13 ALOGPS logs -3.25 ALOGPS solubility 1.73e-01 g/l ALOGPS logp 2.74 ChemAxon pka_strongest_acidic 14.09 ChemAxon pka_strongest_basic 9.67 ChemAxon iupac 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-2,3,6-trimethylphenyl acetate ChemAxon average_mass 309.4006 ChemAxon mono_mass 309.194008357 ChemAxon smiles CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1 ChemAxon formula C17H27NO4 ChemAxon inchi InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3 ChemAxon inchikey BQIPXWYNLPYNHW-UHFFFAOYSA-N ChemAxon polar_surface_area 67.79 ChemAxon refractivity 86.63 ChemAxon polarizability 35.85 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf31e5150> DB01214 31477 29193 BE0000172 BE0000694