Oxacillin
[CAS# 66-79-5]

Identification

• Name: Oxacillin
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-6-[(5-Methyl-3-Phenyl-Isoxazole-4-Carbonyl)Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-6-[[(5-Methyl-3-Phenyl-4-Isoxazolyl)-Oxomethyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(5-Methyl-3-Phenyl-Isoxazole-4-Carbonyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₉H₁₉N₃O₅S
• Molecular Weight: 401.44
• CAS Registry Number: 66-79-5
• EINECS: 200-635-5
• SMILES: [C@@H]12N([C@H](C(C)(C)S1)C(O)=O)C(=O)[C@H]2NC(C3=C(ON=C3C4=CC=CC=C4)C)=O
• InChI: 1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1
• InChIKey: UWYHMGVUTGAWSP-JKIFEVAISA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 686.8±55.0°C at 760 mmHg (Cal.)
• Flash point: 369.2±31.5°C (Cal.)

References

• (1): Nathan A. Sieracki, Hee Jung Hwang, Michelle K. Lee, Dewain K. Garner and Yi Lu. A temperature independent pH (TIP) buffer for biomedical biophysical applications at low temperatures, Chem. Commun., 2008, 823.