Penamecillin
[CAS# 983-85-7]

Identification

• Name: Penamecillin
• Synonyms: Acetoxymethyl 3,3-Dimethyl-7-Oxo-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; 3,3-Dimethyl-7-Oxo-6-[(1-Oxo-2-Phenylethyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Acetoxymethyl Ester; 7-Keto-3,3-Dimethyl-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Acetoxymethyl Ester
• Molecular Formula: C₁₉H₂₂N₂O₆S
• Molecular Weight: 406.45
• CAS Registry Number: 983-85-7
• EINECS: 213-571-8
• SMILES: C3=C(CC(NC2C1N(C(C(C)(C)S1)C(OCOC(C)=O)=O)C2=O)=O)C=CC=C3
• InChI: 1S/C19H22N2O6S/c1-11(22)26-10-27-18(25)15-19(2,3)28-17-14(16(24)21(15)17)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)
• InChIKey: NLOOMWLTUVBWAW-UHFFFAOYSA-N

Properties

• Density: 1.376g/cm³ (Cal.)
• Boiling point: 648.774°C at 760 mmHg (Cal.)
• Flash point: 346.166°C (Cal.)