Nicogrelate
[CAS# 80614-21-7]

Identification

• Name: Nicogrelate
• Synonyms: 1-[(E)-2-Imidazol-1-Ylvinyl]Hexyl Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid 1-[(E)-2-(1-Imidazolyl)Vinyl]Hexyl Ester; Nicotinic Acid [(E)-1-Amyl-3-Imidazol-1-Yl-Prop-2-Enyl] Ester
• Molecular Formula: C₁₇H₂₁N₃O₂
• Molecular Weight: 299.37
• CAS Registry Number: 80614-21-7
• SMILES: C1=CC=NC=C1C(OC(\C=C\[N]2C=CN=C2)CCCCC)=O
• InChI: 1S/C17H21N3O2/c1-2-3-4-7-16(8-11-20-12-10-19-14-20)22-17(21)15-6-5-9-18-13-15/h5-6,8-14,16H,2-4,7H2,1H3/b11-8+
• InChIKey: KDFWKXZFYSRQSX-DHZHZOJOSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 487.671°C at 760 mmHg (Cal.)
• Flash point: 248.734°C (Cal.)