3,3-Didemethylpiperacillin
[CAS# 81482-39-5]

Identification

• Name: 3,3-Didemethylpiperacillin
• Synonyms: (2S,5R,6R)-6-[[2-[(4-Ethyl-2,3-Dioxo-Piperazine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-[[(4-Ethyl-2,3-Dioxo-1-Piperazinyl)-Oxomethyl]Amino]-1-Oxo-2-Phenylethyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-[(4-Ethyl-2,3-Diketo-Piperazine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-7-Keto-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₁H₂₃N₅O₇S
• Molecular Weight: 489.50
• CAS Registry Number: 81482-39-5
• SMILES: [C@H]12SC[C@@H](N1C(=O)[C@H]2NC(=O)C(NC(=O)N3C(=O)C(=O)N(CC3)CC)C4=CC=CC=C4)C(=O)O
• InChI: 1S/C21H23N5O7S/c1-2-24-8-9-25(18(30)17(24)29)21(33)23-13(11-6-4-3-5-7-11)15(27)22-14-16(28)26-12(20(31)32)10-34-19(14)26/h3-7,12-14,19H,2,8-10H2,1H3,(H,22,27)(H,23,33)(H,31,32)/t12-,13?,14-,19-/m1/s1
• InChIKey: RMAPZRULYHSIOO-HWLFXNRRSA-N

Properties

• Density: 1.59g/cm³ (Cal.)