Ximoprofen
[CAS# 56187-89-4]

Identification

• Name: Ximoprofen
• Synonyms: 2-[4-[(3Z)-3-Hydroximinocyclohexyl]Phenyl]Propionic Acid; 2-(4-(3-Hydroxyiminocyclohexyl)Phenylpropionsaeure; 4-(3-Hydroxyiminocyclohexyl)Hydratropasaeure
• Molecular Formula: C₁₅H₁₉NO₃
• Molecular Weight: 261.32
• CAS Registry Number: 56187-89-4
• EINECS: 260-041-7
• SMILES: C1=CC(=CC=C1C2C\C(CCC2)=N/O)C(C(O)=O)C
• InChI: 1S/C15H19NO3/c1-10(15(17)18)11-5-7-12(8-6-11)13-3-2-4-14(9-13)16-19/h5-8,10,13,19H,2-4,9H2,1H3,(H,17,18)/b16-14-
• InChIKey: IQPPOXSMSDPZKU-PEZBUJJGSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 465.357°C at 760 mmHg (Cal.)
• Flash point: 235.24°C (Cal.)

References

• (1): Zhao YH, Abraham MH, Le J, Hersey A, Luscombe CN, Beck G, Sherborne B, and Cooper I. Rate-limited Steps of Human Oral Absorption and QSAR Studies, Pharm Res., 2002, 19(10), 1446-57