Fenbenicillin
[CAS# 1926-48-3]

Identification

• Classification: API >> Antibiotics >> Penicillin
• Name: Fenbenicillin
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[2-(Phenoxy)-2-Phenyl-Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-(Phenoxy)-2-Phenylethyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[[2-(Phenoxy)-2-Phenyl-Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₂H₂₂N₂O₅S
• Molecular Weight: 426.49
• CAS Registry Number: 1926-48-3
• SMILES: [C@@H]12N([C@@H](C(O)=O)C(S1)(C)C)C(=O)[C@H]2NC(C(C3=CC=CC=C3)OC4=CC=CC=C4)=O
• InChI: 1S/C22H22N2O5S/c1-22(2)17(21(27)28)24-19(26)15(20(24)30-22)23-18(25)16(13-9-5-3-6-10-13)29-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,23,25)(H,27,28)/t15-,16?,17+,20-/m1/s1
• InChIKey: VZPPEUOYDWPUKO-MQWDNKACSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 736.3°C at 760 mmHg (Cal.)
• Flash point: 399.1°C (Cal.)