1.0 2026-03-31 20:43:03 UTC 2026-08-19 07:06:50 UTC Penicillin N/Synnematin B SmallMolecule Penicillin N/Synnematin B has the chemical formula C14H21N3O6S1 and an average molecular weight of 359.40 g/mol. Penicillin N/Synnematin B belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is found in or released from two recorded sources: antibiotics used in healthcare, pharmaceuticals, and veterinary products, as well as non electric simulated smoking devices used in household cleaning and consumer products. Recorded exposure routes for this substance include oral and inhalation. (2S,5R,6R)-6-(5-Amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure (2S,5R,6R)-6-[(5R)-5-amino-5-carboxypentanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-[[(5R)-5-amino-6-hydroxy-1,6-dioxohexyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-[[(5R)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-[[(5R)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-[[(5R)-5-amino-6-hydroxy-6-oxohexanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-{[(5R)-5-Amino-5-carboxypentanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-Amino-4-carboxybutyl)penicillin (D-4-Amino-4-carboxybutyl) penicillinic acid (D-4-Amino-4-carboxybutyl)penicillinic Acid 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((5-amino-5-carboxy-1-oxopentyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))- (9CI) 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(5-amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-, D- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- 6-(5-Amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 6-(D-5-Amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid 6-N-((5-Amino-5-carboxy)pentanoyl)aminopenicillansaeure 6beta-[(5R)-5-amino-5-carboxypentanamido]-2,2-dimethylpenam-3alpha-carboxylic acid 7beta-[(5R)-5-amino-5-carboxypentanamido]-2,2-dimethylcepham-3alpha-carboxylic acid Adicilina [INN-Spanish] Adicillin Adicillin (CHIRALITY ON Amino-carboxy-butyl CHAIN NOT GIVEN) Adicilline [INN-French] Adicillinum Cephalosphorin R cephalosporin N penicillin N Salmotin SYNNEMATIN B Synnematin N UNII-NOF9U9EYQ4 UNII:NOF9U9EYQ4 [2S-[2a,5a,6b(S*)]]-6-[(5-Amino-5-carboxy-1-oxopentyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid C14H21N3O6S1 359.4 359.115106 (2S,5R,6R)-6-[(5R)-5-amino-5-carboxypentanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid penicillin N 525-94-0 InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8-,9+,11-/m1/s1 MIFYHUACUWQUKT-GPUHXXMPSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-alpha amino acids and derivatives Amino acids Azacyclic compounds Azetidines Carbonyl compounds Carboximidic acids Carboxylic acids D-alpha-amino acids Dialkylthioethers Dicarboxylic acids and derivatives Heterocyclic fatty acids Hydrocarbon derivatives Medium-chain fatty acids Monoalkylamines Organic oxides Organopnictogen compounds Penams Propargyl-type 1,3-dipolar organic compounds Tertiary carboxylic acid amides Thiazolidines Thiohemiaminal derivatives Aliphatic heteropolycyclic compound Alpha-amino acid Amine Amino acid Azacycle Azetidine Beta-lactam Carbonyl group Carboxamide group Carboximidic acid Carboximidic acid derivative Carboxylic acid D-alpha-amino acid Dialkylthioether Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hemithioaminal Heterocyclic fatty acid Hydrocarbon derivative Lactam Medium-chain fatty acid N-acyl-alpha amino acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Penam Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Tertiary carboxylic acid amide Thiazolidine Thioether Aliphatic heteropolycyclic compounds penicillin Detected and Not Quantified logp -2.5 logp -1.43 ALOGPS logs -1.60 ALOGPS solubility 8.96e+00 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 1.83 ChemAxon pka_strongest_basic 9.23 ChemAxon iupac (2S,5R,6R)-6-[(5R)-5-amino-5-carboxypentanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ChemAxon average_mass 359.4 ChemAxon mono_mass 359.115106 ChemAxon formula C14H21N3O6S1 ChemAxon inchi InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8-,9+,11-/m1/s1 ChemAxon inchikey MIFYHUACUWQUKT-GPUHXXMPSA-N ChemAxon polar_surface_area 150.03 ChemAxon refractivity 83.05 ChemAxon polarizability 35.1 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72705a1060> 71724 64771