Ampicillinoic Acid
[CAS# 57457-66-6]

Identification

• Name: Ampicillinoic Acid
• Synonyms: 2-[1-[(2-Amino-2-Phenyl-Acetyl)Amino]-2-Hydroxy-2-Oxo-Ethyl]-5,5-Dimethyl-Thiazolidine-4-Carboxylic Acid; 2-[1-[(2-Amino-1-Oxo-2-Phenylethyl)Amino]-2-Hydroxy-2-Oxoethyl]-5,5-Dimethyl-4-Thiazolidinecarboxylic Acid; 2-[1-[(2-Amino-2-Phenyl-Acetyl)Amino]-2-Hydroxy-2-Keto-Ethyl]-5,5-Dimethyl-Thiazolidine-4-Carboxylic Acid
• Molecular Formula: C₁₆H₂₁N₃O₅S
• Molecular Weight: 367.42
• CAS Registry Number: 57457-66-6
• SMILES: C1=CC=CC=C1C(C(NC(C2SC(C)(C)C(N2)C(O)=O)C(O)=O)=O)N
• InChI: 1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)
• InChIKey: KDAWOPKDXRJNHV-UHFFFAOYSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 707.099°C at 760 mmHg (Cal.)
• Flash point: 381.44°C (Cal.)