Desthiobenzylpenicillin
[CAS# 4425-26-7]

Identification

• Name: Desthiobenzylpenicillin
• Synonyms: (2R)-3-Methyl-2-[(3S)-2-Oxo-3-[(1-Oxo-2-Phenylethyl)Amino]-1-Azetidinyl]Butanoic Acid; (2R)-2-[(3S)-2-Keto-3-[(2-Phenylacetyl)Amino]Azetidin-1-Yl]-3-Methyl-Butyric Acid; (2R)-3-Methyl-2-[(3S)-2-Oxo-3-(2-Phenylethanoylamino)Azetidin-1-Yl]Butanoic Acid
• Molecular Formula: C₁₆H₂₀N₂O₄
• Molecular Weight: 304.35
• CAS Registry Number: 4425-26-7
• SMILES: [C@@H]2(NC(=O)CC1=CC=CC=C1)C(=O)N([C@@H](C(=O)O)C(C)C)C2
• InChI: 1S/C16H20N2O4/c1-10(2)14(16(21)22)18-9-12(15(18)20)17-13(19)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12-,14+/m0/s1
• InChIKey: FZGPEVZHDQGHEP-GXTWGEPZSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 612.536°C at 760 mmHg (Cal.)
• Flash point: 324.25°C (Cal.)