1.0 2016-05-25 18:21:09 UTC 2026-08-22 03:39:34 UTC Benazepril SmallMolecule Benazepril is an organic compound with the formula C24H28N2O5 and an average molecular weight of 424.49 g/mol. Benazepril belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. The compound acts as an inhibitor of the protein target Angiotensin-converting enzyme (ACE). Benazepril is found in or released from two recorded sources: antennas within electrical and electronic equipment and ACE inhibitors within healthcare, pharmaceuticals, and veterinary products. The recorded route of exposure for this substance is oral. C24H28N2O5 424.4895 424.199822016 2-[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid benazepril 86541-75-5 CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1 XPCFTKFZXHTYIP-PMACEKPBSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Alpha amino acid esters Amino acids Aralkylamines Azacyclic compounds Azepines Benzazepines Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Dialkylamines Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Lactams Organic oxides Organopnictogen compounds Tertiary carboxylic acid amides Alpha-amino acid ester Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Azepine Benzazepine Benzenoid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Lactam Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Tertiary carboxylic acid amide Aromatic heteropolycyclic compounds benzazepine dicarboxylic acid monoester ethyl ester Detected and Not Quantified Benazepril Action Pathway SMP0000145 Benazepril Metabolism Pathway SMP0000591 Benazepril ACE inhibitor Action Pathway SMP0122803 Benazepril Drug Metabolism Action Pathway SMP0142992 logp 1.54 logp 1.14 ALOGPS logs -4.61 ALOGPS solubility 1.05e-02 g/l ALOGPS logp 1.54 ChemAxon pka_strongest_acidic 3.53 ChemAxon pka_strongest_basic 5.36 ChemAxon iupac 2-[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid ChemAxon average_mass 424.4895 ChemAxon mono_mass 424.199822016 ChemAxon smiles CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O ChemAxon formula C24H28N2O5 ChemAxon inchi InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1 ChemAxon inchikey XPCFTKFZXHTYIP-PMACEKPBSA-N ChemAxon polar_surface_area 95.94 ChemAxon refractivity 115.23 ChemAxon polarizability 44.98 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722647bae0> DB00542 40466887 4514935 BE0000221