1.0 2016-05-22 06:35:51 UTC 2026-08-21 22:59:55 UTC Cilazapril SmallMolecule Cilazapril is an organic compound with the formula C22H31N3O5 and an average molecular weight of 417.50 g/mol. Cilazapril belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It is utilized in healthcare, pharmaceuticals, and veterinary products as an ACE inhibitor, with oral administration serving as the recorded exposure route. The compound acts as an inhibitor of the protein target Angiotensin-converting enzyme (ACE). cilazaprilum, cilazapril anhydrous, inhibace C22H31N3O5 417.4986 417.226371117 (1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxo-octahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid inhibace 88768-40-5 CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1 HHHKFGXWKKUNCY-FHWLQOOXSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides 1,2-diazepanes Alpha amino acid esters Amino acids Aralkylamines Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acid hydrazides Carboxylic acids Dialkylamines Diazinanes Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Organopnictogen compounds Pyridazines and derivatives 1,2-diazepane 1,2-diazinane Alpha-amino acid ester Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid ester Carboxylic acid hydrazide Diazepane Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridazine Secondary aliphatic amine Secondary amine Aromatic heteropolycyclic compounds Detected and Not Quantified Cilazapril Action Pathway SMP0000147 Cilazapril Metabolism Pathway SMP0000592 Cilazapril ACE inhibitor Action Pathway SMP0122986 Cilazapril Drug Metabolism Action Pathway SMP0143718 logp 0.22 logp -0.20 ALOGPS logs -2.59 ALOGPS solubility 1.06e+00 g/l ALOGPS logp -0.0079 ChemAxon pka_strongest_acidic 3.41 ChemAxon pka_strongest_basic 5.35 ChemAxon iupac (1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxo-octahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid ChemAxon average_mass 417.4986 ChemAxon mono_mass 417.226371117 ChemAxon smiles CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O ChemAxon formula C22H31N3O5 ChemAxon inchi InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1 ChemAxon inchikey HHHKFGXWKKUNCY-FHWLQOOXSA-N ChemAxon polar_surface_area 99.18 ChemAxon refractivity 110.56 ChemAxon polarizability 44.73 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72a9ea2590> DB01340 40466888 50831 BE0000221