1.0 2026-03-31 20:42:28 UTC 2026-08-19 16:49:17 UTC Epicillin SmallMolecule Epicillin is an organoheterocyclic compound with the formula C16H21N3O4S1 and an average molecular weight of 351.42 g/mol. Epicillin belongs to the beta lactams, a subclass of lactams within the organic compounds. This substance is found in or released from two recorded sources: food, food processing & cookware (specifically the preparation of wine or sparkling wine) and healthcare, pharmaceuticals & veterinary products (antibiotics). Recorded routes of exposure for this compound include oral and inhalation. (2S,5R,6R)-6-[[(2R)-2-amino-2-(1-cyclohexa-1,4-dienyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-[[(2R)-2-amino-2-(1-cyclohexa-1,4-dienyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-[[(2R)-2-amino-2-(1-cyclohexa-1,4-dienyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-[[(2R)-2-amino-2-(1-cyclohexa-1,4-dienyl)ethanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-{[(2R)-2-Amino-2-(cyclohexa-1,4-dien-1-yl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1091831 248-001-7 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((amino-1,4-cyclohexadien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3,3-dimethyl-7-oxo-, D- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- 6-((Amino-1,4-cyclohexadien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (2S-(2alpha,5alpha,6beta,(S*)))- 6-(D-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 6-[D-a-Amino-2-(1,4-cyclohexadien-1-yl)acetamido]penicillanic Acid 6beta-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid D-a-Amino-(1,4-cyclohexadien-1-yl)methylpenicillin D04020 Dexacillin Dexacillin (TN) Dihydroampicillin EINECS 248-001-7 epicilina Epicilina [INN-Spanish] Epicillin Epicillin (USAN) Epicillin [USAN:BAN:INN] epicilline Epicilline [INN-French] epicillinum Epicillinum [INN-Latin] UNII-3LU1L73C8Y UNII:3LU1L73C8Y [2S-[2a,5a,6b(S*)]]-6-[(Amino-1,4-cyclohexadien-1-ylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid C16H21N3O4S1 351.42 351.125277 (2S,5R,6R)-6-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid epicillin 26774-90-3 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(O)=O InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 RPBAFSBGYDKNRG-NJBDSQKTSA-N Organic compounds Organoheterocyclic compounds Lactams Beta lactams Penicillins Alpha amino acid amides Amino acids Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Tertiary carboxylic acid amides Thiazolidines Thiohemiaminal derivatives Aliphatic heteropolycyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Azacycle Azetidine Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Dialkylthioether Hemithioaminal Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Penicillin Primary aliphatic amine Primary amine Secondary carboxylic acid amide Tertiary carboxylic acid amide Thiazolidine Thioether Aliphatic heteropolycyclic compounds penicillin Detected and Not Quantified logp -2.3 logp 1.04 ALOGPS logs -2.65 ALOGPS solubility 7.92e-01 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 3.25 ChemAxon pka_strongest_basic 7.6 ChemAxon iupac (2S,5R,6R)-6-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ChemAxon average_mass 351.42 ChemAxon mono_mass 351.125277 ChemAxon smiles CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(O)=O ChemAxon formula C16H21N3O4S1 ChemAxon inchi InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 ChemAxon inchikey RPBAFSBGYDKNRG-NJBDSQKTSA-N ChemAxon polar_surface_area 112.73 ChemAxon refractivity 90.55 ChemAxon polarizability 35.64 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72812af968> DB13300 71392 64486