1.0 2016-05-22 04:23:28 UTC 2026-05-14 16:58:40 UTC Captopril SmallMolecule Captopril (C9H15NO3S) is an organic compound with an average molecular weight of 217.28 g/mol. Captopril belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It is used as a biological antioxidant (PMC12841722) and is classified as an ACE inhibitor. Recorded exposure routes for this compound include oral administration. Captopril is found in or released from 15 recorded sources, including healthcare, pharmaceuticals & veterinary products; food, food processing & cookware, such as the preparation of wine or sparkling wine and the preparation of vinegar; household cleaning & consumer products, including other smoking requisites, non electric simulated smoking devices, and cigar cigarettes; and electrical & electronic equipment, including electric switches, electric hearing aids, communication cables or conductors, auxiliary devices, and antennas. The compound interacts with five recorded protein targets, serving as an activator or inhibitor of Angiotensin-converting enzyme (ACE), as well as Leukotriene A-4 hydrolase (LTA4H), Matrix metalloproteinase-9 (MMP9), and 72 kDa type IV collagenase (MMP2). Regarding health effects, Captopril is used as a treatment for hypertension (PMC10888711, PMC9265340, PMC9505973) and chronic kidney disease (PMC12067445). Additionally, it has a therapeutic effect on heart failure (PMC12841722). C9H15NO3S 217.285 217.077264041 (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid captopril 62571-86-2 C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 FAKRSMQSSFJEIM-RQJHMYQMSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Proline and derivatives Alkylthiols Azacyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrrolidine carboxylic acids Tertiary carboxylic acid amides Aliphatic heteromonocyclic compound Alkylthiol Azacycle Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Tertiary carboxylic acid amide Aliphatic heteromonocyclic compounds L-proline derivative N-acylpyrrolidine alkanethiol pyrrolidinemonocarboxylic acid Detected and Not Quantified Captopril Action Pathway SMP0000146 Captopril Drug Metabolism Action Pathway SMP0143616 logp 0.73 logp 1.02 ALOGPS logs -1.68 ALOGPS solubility 4.52e+00 g/l ALOGPS logp 0.73 ChemAxon pka_strongest_acidic 4.02 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid ChemAxon average_mass 217.285 ChemAxon mono_mass 217.077264041 ChemAxon smiles C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O ChemAxon formula C9H15NO3S ChemAxon inchi InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 ChemAxon inchikey FAKRSMQSSFJEIM-RQJHMYQMSA-N ChemAxon polar_surface_area 57.61 ChemAxon refractivity 54.63 ChemAxon polarizability 21.72 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226273720> DB01197 44093 40130 BE0000221 BE0000642 BE0000058 BE0001680 BE0005831