Fenestrel
[CAS# 7698-97-7]

Identification

• Name: Fenestrel
• Synonyms: Sodium 5-Ethyl-6-Methyl-4-Phenyl-Cyclohex-3-Ene-1-Carboxylate; Sodium 5-Ethyl-6-Methyl-4-Phenyl-1-Cyclohex-3-Enecarboxylate; 2-Methyl-3-Ethyl-4-Phenyl-Delta(Sup 4)-Cyclohexene Carboxylic Acid Sodium Salt
• Molecular Formula: C₁₆H₁₉NaO₂
• Molecular Weight: 266.31
• CAS Registry Number: 7698-97-7 (16550-39-3)
• SMILES: C2=C(C1=CCC(C(C1CC)C)C([O-])=O)C=CC=C2.[Na+]
• InChI: 1S/C16H20O2.Na/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12;/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18);/q;+1/p-1
• InChIKey: PIFVVPYZGHCUTH-UHFFFAOYSA-M

Properties

• Boiling point: 389.1°C at 760 mmHg (Cal.)
• Flash point: 183.3°C (Cal.)