Cloxacillin Sulfone
[CAS# 76788-83-5]

Identification

• Name: Cloxacillin Sulfone
• Synonyms: (2S,5R,6R)-6-[[3-(2-Chlorophenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-3,3-Dimethyl-4,4,7-Trioxo-4$L^{6}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[[3-(2-Chlorophenyl)-5-Methyl-4-Isoxazolyl]-Oxomethyl]Amino]-3,3-Dimethyl-4,4,7-Trioxo-4$L^{6}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2-Chlorophenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-4,4,7-Triketo-3,3-Dimethyl-4$L^{6}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₉H₁₈ClN₃O₇S
• Molecular Weight: 467.88
• CAS Registry Number: 76788-83-5
• SMILES: [C@@H]12N([C@H](C([S]1(=O)=O)(C)C)C(=O)O)C([C@H]2NC(C3=C(ON=C3C4=C(C=CC=C4)Cl)C)=O)=O
• InChI: 1S/C19H18ClN3O7S/c1-8-11(12(22-30-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)31(28,29)17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1
• InChIKey: NVNVYZJTNPZRPA-JKIFEVAISA-N

Properties

• Density: 1.645g/cm³ (Cal.)
• Boiling point: 783.258°C at 760 mmHg (Cal.)
• Flash point: 427.499°C (Cal.)