Cloxacillin
[CAS 61-72-3]

Identification

• Classification: Pharmaceutical intermediate >> API intermediate
• Name: Cloxacillin
• Synonyms: (2S,5R,6R)-6-[[3-(2-Chlorophenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[[3-(2-Chlorophenyl)-5-Methyl-4-Isoxazolyl]-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2-Chlorophenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₉H₁₈ClN₃O₅S
• Molecular Weight: 435.88
• CAS Registry Number: 61-72-3
• EINECS: 200-514-7
• SMILES: [C@@H]12N([C@@H](C(O)=O)C(S1)(C)C)C(=O)[C@H]2NC(C3=C(ON=C3C4=CC=CC=C4Cl)C)=O
• InChI: 1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1
• InChIKey: LQOLIRLGBULYKD-JKIFEVAISA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 689.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 370.9±31.5°C (Cal.)

References

• (1): Katrin Kloth, Maria Rye-Johnsen, Andrea Didier, Richard Dietrich, Erwin Märtlbauer, Reinhard Niessner and Michael Seidel. A regenerable immunochip for the rapid determination of 13 different antibiotics in raw milk, Analyst, 2009, 134, 1433.