2-(2'-Carboxyphenyl)Benzoyl-6-Aminopenicillanic Acid
[CAS# 14796-35-1]

Identification

• Name: 2-(2'-Carboxyphenyl)Benzoyl-6-Aminopenicillanic Acid
• Synonyms: (2S,5R,6R)-6-[[[2-(2-Carboxyphenyl)Phenyl]-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-(2-Carboxyphenyl)Benzoyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-(2-Carboxyphenyl)Phenyl]Carbonylamino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₂H₂₀N₂O₆S
• Molecular Weight: 440.47
• CAS Registry Number: 14796-35-1
• SMILES: [C@H]1(N2[C@H](SC1(C)C)[C@@H](C2=O)NC(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O)C(=O)O
• InChI: 1S/C22H20N2O6S/c1-22(2)16(21(29)30)24-18(26)15(19(24)31-22)23-17(25)13-9-5-3-7-11(13)12-8-4-6-10-14(12)20(27)28/h3-10,15-16,19H,1-2H3,(H,23,25)(H,27,28)(H,29,30)/t15-,16+,19-/m1/s1
• InChIKey: WBCAUHBSTJESRM-JTDSTZFVSA-N

Properties

• Density: 1.534g/cm³ (Cal.)
• Boiling point: 752.727°C at 760 mmHg (Cal.)
• Flash point: 409.035°C (Cal.)