Fenetradil
[CAS# 54063-39-7]

Identification

• Name: Fenetradil
• Synonyms: [1-(Isobutoxymethyl)-2-(4-Methylpiperazin-1-Yl)Ethyl] 2-Phenylbutanoate; 2-Phenylbutanoic Acid [1-(Isobutoxymethyl)-2-(4-Methyl-1-Piperazinyl)Ethyl] Ester; 2-Phenylbutyric Acid [1-(Isobutoxymethyl)-2-(4-Methylpiperazin-1-Yl)Ethyl] Ester
• Molecular Formula: C₂₂H₃₆N₂O₃
• Molecular Weight: 376.54
• CAS Registry Number: 54063-39-7
• SMILES: C1=CC=CC=C1C(C(OC(CN2CCN(C)CC2)COCC(C)C)=O)CC
• InChI: 1S/C22H36N2O3/c1-5-21(19-9-7-6-8-10-19)22(25)27-20(17-26-16-18(2)3)15-24-13-11-23(4)12-14-24/h6-10,18,20-21H,5,11-17H2,1-4H3
• InChIKey: JAHOJXDGNNONSL-UHFFFAOYSA-N

Properties

• Density: 1.027g/cm³ (Cal.)
• Boiling point: 462.623°C at 760 mmHg (Cal.)
• Flash point: 233.586°C (Cal.)