Benzylpenicillin CP Impurity I
[CAS# 3264-88-8]

Identification

• Name: Benzylpenicillin CP Impurity I
• Synonyms: 2-[(2-benzyl-5-hydroxy-1,3-oxazol-4-yl)methylideneamino]-3-methyl-3-sulfanylbutanoic acid
• Molecular Formula: C₁₆H₁₈N₂O₄S
• Molecular Weight: 334.39
• CAS Registry Number: 3264-88-8
• SMILES: CC(C)(C(C(=O)O)N=CC1=C(OC(=N1)CC2=CC=CC=C2)O)S

Properties

• Solubility: 111.6 mg/L (25 ºC water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.618, Calc.^*
• Melting point: 320.21 ºC
• Boiling Point: 590.84 ºC, 482.9±55.0 ºC (760 mmHg), Calc.^*
• Flash Point: 245.9±31.5 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.