Oxetacillin
[CAS# 53861-02-2]

Identification

• Name: Oxetacillin
• Synonyms: (2S,5R,6R)-6-[4-(4-Hydroxyphenyl)-2,2-Dimethyl-5-Oxo-Imidazolidin-1-Ium-1-Yl]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[4-(4-Hydroxyphenyl)-2,2-Dimethyl-5-Oxo-1-Imidazolidin-1-Iumyl]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[4-(4-Hydroxyphenyl)-5-Keto-2,2-Dimethyl-Imidazolidin-1-Ium-1-Yl]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₉H₂₄N₃O₅S
• Molecular Weight: 406.48
• CAS Registry Number: 53861-02-2
• SMILES: [C@H]1(N2[C@H](SC1(C)C)[C@@H](C2=O)[NH+]3C(NC(C3=O)C4=CC=C(C=C4)O)(C)C)C(=O)O
• InChI: 1S/C19H23N3O5S/c1-18(2)13(17(26)27)21-15(25)12(16(21)28-18)22-14(24)11(20-19(22,3)4)9-5-7-10(23)8-6-9/h5-8,11-13,16,20,23H,1-4H3,(H,26,27)/p+1/t11?,12-,13+,16-/m1/s1
• InChIKey: MFSKHDSIPVDCDE-XQERAMJGSA-O

Properties

• Boiling point: 700.16°C at 760 mmHg (Cal.)
• Flash point: 377.243°C (Cal.)