Penicillin K
[CAS# 525-97-3]

Identification

• Name: Penicillin K
• Synonyms: 3,3-Dimethyl-7-Oxo-6-(1-Oxooctylamino)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 6-(Caprylylamino)-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 3,3-Dimethyl-6-Octanamido-7-Oxo-4-Thia-1-Azabicyclo(3.2.0)Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₂₆N₂O₄S
• Molecular Weight: 342.45
• CAS Registry Number: 525-97-3
• SMILES: C(C(NC2C1N(C(C(C)(C)S1)C(O)=O)C2=O)=O)CCCCCC
• InChI: 1S/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)
• InChIKey: XVASOOUVMJAZNJ-UHFFFAOYSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 602.061°C at 760 mmHg (Cal.)
• Flash point: 317.915°C (Cal.)