Desethylpiperacillin
[CAS# 59703-78-5]

Identification

• Name: Desethylpiperacillin
• Synonyms: (2S,5R,6R)-6-[[2-[(3,5-Dioxopiperazine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-[[(3,5-Dioxo-1-Piperazinyl)-Oxomethyl]Amino]-1-Oxo-2-Phenylethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-[(3,5-Diketopiperazine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₁H₂₃N₅O₇S
• Molecular Weight: 489.50
• CAS Registry Number: 59703-78-5
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(NC(=O)N3CC(=O)NC(=O)C3)C4=CC=CC=C4)C(=O)O)(C)C
• InChI: 1S/C21H23N5O7S/c1-21(2)15(19(31)32)26-17(30)14(18(26)34-21)23-16(29)13(10-6-4-3-5-7-10)24-20(33)25-8-11(27)22-12(28)9-25/h3-7,13-15,18H,8-9H2,1-2H3,(H,23,29)(H,24,33)(H,31,32)(H,22,27,28)/t13?,14-,15+,18-/m1/s1
• InChIKey: DUHMIUBGJVWIBF-KRWWSPQJSA-N

Properties

• Density: 1.581g/cm³ (Cal.)
• Boiling point: 980.935°C at 760 mmHg (Cal.)
• Flash point: 547.05°C (Cal.)