3,3-Dimethyl-7-Oxo-6-[2-(Phenoxy)Propanoylamino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 147-55-7]

Identification

• Classification: API >> Antibiotics >> Penicillin
• Name: 3,3-Dimethyl-7-Oxo-6-[2-(Phenoxy)Propanoylamino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: 3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-(Phenoxy)Propyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 7-Keto-3,3-Dimethyl-6-[2-(Phenoxy)Propanoylamino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 1-Phenoxyethylpenicillin
• Molecular Formula: C₁₇H₂₀N₂O₅S
• Molecular Weight: 364.42
• CAS Registry Number: 147-55-7
• EINECS: 205-691-4
• SMILES: C1=CC=CC=C1OC(C(NC3C2N(C(C(C)(C)S2)C(=O)O)C3=O)=O)C
• InChI: 1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)
• InChIKey: NONJJLVGHLVQQM-UHFFFAOYSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 673.869°C at 760 mmHg (Cal.)
• Flash point: 361.343°C (Cal.)