(2,3)-alpha-Methylenebenzylpenicillin
[CAS# 110220-97-8]

Identification

• Name: (2,3)-alpha-Methylenebenzylpenicillin
• Synonyms: 2,3-Methylene Penam; 2,3-Alpha-Methylenepenam; 5-Thia-1-Azatricyclo(4.2.0.0(2,4))Octane-2-Carboxylic Acid, 4-Methyl-8-Oxo-7-((Phenylacetyl)Amino)-, (2R-(2Alpha,4Alpha,6Beta,7Alpha))-
• Molecular Formula: C₁₆H₁₆N₂O₄S
• Molecular Weight: 332.37
• CAS Registry Number: 110220-97-8
• SMILES: [C@]12(N3[C@H](S[C@@]1(C2)C)[C@@H](C3=O)NC(=O)CC4=CC=CC=C4)C(=O)O
• InChI: 1S/C16H16N2O4S/c1-15-8-16(15,14(21)22)18-12(20)11(13(18)23-15)17-10(19)7-9-5-3-2-4-6-9/h2-6,11,13H,7-8H2,1H3,(H,17,19)(H,21,22)/t11-,13-,15-,16-/m1/s1
• InChIKey: VLLBEUGNWBHYGD-UIBBOPPKSA-N

Properties

• Density: 1.538g/cm³ (Cal.)
• Boiling point: 681.102°C at 760 mmHg (Cal.)
• Flash point: 365.717°C (Cal.)