1.0 2016-05-22 05:09:43 UTC 2026-08-21 22:49:00 UTC Pivampicillin SmallMolecule Pivampicillin is an organic compound with the formula C22H29N3O6S and an average molecular weight of 463.55 g/mol. Pivampicillin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. In terms of biological activity, it acts as an inhibitor of the protein target Penicillin-binding protein 1A (pbpA). The compound is identified in four recorded sources, including antibiotics and penicillins within healthcare, pharmaceuticals, and veterinary products. It is also found in household cleaning and consumer products, specifically non-electric simulated smoking devices, as well as in electrically stimulated smoking devices within electrical and electronic equipment. Recorded routes of exposure for pivampicillin include oral and inhalation. C22H29N3O6S 463.547 463.177706365 [(2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyloxy]methyl 2,2-dimethylpropanoate pivampicillin 33817-20-8 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)C(C)(C)C InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1 ZEMIJUDPLILVNQ-ZXFNITATSA-N Organic compounds Organoheterocyclic compounds Azoles Triazoles Phenyl-1,2,4-triazoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Azacyclic compounds Benzoic acids Benzoyl derivatives Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic heteromonocyclic compound Azacycle Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenyl-1,2,4-triazole Aromatic heteromonocyclic compounds benzoic acids monocarboxylic acid phenols triazoles Detected and Not Quantified Pivampicillin Drug Metabolism Action Pathway SMP0143803 logp 2.07 logp 1.43 ALOGPS logs -4.12 ALOGPS solubility 3.54e-02 g/l ALOGPS logp 2.07 ChemAxon pka_strongest_acidic 11.71 ChemAxon pka_strongest_basic 7.44 ChemAxon iupac [(2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyloxy]methyl 2,2-dimethylpropanoate ChemAxon average_mass 463.547 ChemAxon mono_mass 463.177706365 ChemAxon smiles [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)C(C)(C)C ChemAxon formula C22H29N3O6S ChemAxon inchi InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1 ChemAxon inchikey ZEMIJUDPLILVNQ-ZXFNITATSA-N ChemAxon polar_surface_area 128.03 ChemAxon refractivity 116.25 ChemAxon polarizability 47.54 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226211d68> DB01604 33478 30899 BE0000576