1-[3-[3-[4-(5-Methoxypyrimidin-4-Yl)Piperazin-1-Yl]Propyl]-1H-Indol-5-Yl]-N-Methylmethanesulfonamide
[CAS# 151140-96-4]

Identification

• Name: 1-[3-[3-[4-(5-Methoxypyrimidin-4-Yl)Piperazin-1-Yl]Propyl]-1H-Indol-5-Yl]-N-Methylmethanesulfonamide
• Synonyms: 1-[3-[3-[4-(5-Methoxypyrimidin-4-Yl)Piperazin-1-Yl]Propyl]-1H-Indol-5-Yl]-N-Methyl-Methanesulfonamide; 1-[3-[3-[4-(5-Methoxy-4-Pyrimidinyl)-1-Piperazinyl]Propyl]-1H-Indol-5-Yl]-N-Methylmethanesulfonamide; Avitriptan
• Molecular Formula: C₂₂H₃₀N₆O₃S
• Molecular Weight: 458.58
• CAS Registry Number: 151140-96-4
• SMILES: C1=C(C[S](NC)(=O)=O)C=CC2=C1C(=C[NH]2)CCCN4CCN(C3=NC=NC=C3OC)CC4
• InChI: 1S/C22H30N6O3S/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3
• InChIKey: WRZVGHXUPBWIOO-UHFFFAOYSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 708.021°C at 760 mmHg (Cal.)
• Flash point: 381.998°C (Cal.)