(2S)-2-(4-Isobutylphenyl)Propanoic Acid - L-Lysine Hydrate (1:1:1)
[CAS# 113403-10-4]

Identification

• Name: (2S)-2-(4-Isobutylphenyl)Propanoic Acid - L-Lysine Hydrate (1:1:1)
• Synonyms: Dexibuprofen lysine; Doctrin
• Molecular Formula: C₁₉H₃₄N₂O₅
• Molecular Weight: 370.48
• CAS Registry Number: 113403-10-4
• SMILES: O=C(O)[C@@H](N)CCCCN.O=C(O)[C@H](c1ccc(cc1)CC(C)C)C.O
• InChI: 1S/C13H18O2.C6H14N2O2.H2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10;/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10);1H2/t10-;5-;/m00./s1
• InChIKey: ZLGIZCLYTDPXEP-LQDNOSPQSA-N

Properties

• Boiling point: 319.6°C at 760 mmHg (Cal.)
• Flash point: 216.7°C (Cal.)
• Refractive index: (Cal.)