Itrocainide
[CAS# 90828-99-2]

Identification

• Name: Itrocainide
• Synonyms: N-(2-Diethylaminoethyl)-1-(2-Methylphenyl)-4-Isoquinolinecarboxamide; Itrocainide; Itrocainide [Inn]
• Molecular Formula: C₂₃H₂₇N₃O
• Molecular Weight: 361.49
• CAS Registry Number: 90828-99-2
• SMILES: C1=CC=CC2=C(C(NCCN(CC)CC)=O)C=NC(=C12)C3=CC=CC=C3C
• InChI: 1S/C23H27N3O/c1-4-26(5-2)15-14-24-23(27)21-16-25-22(18-11-7-6-10-17(18)3)20-13-9-8-12-19(20)21/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27)
• InChIKey: OIMMXIJXYSXFKM-UHFFFAOYSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 529.622°C at 760 mmHg (Cal.)
• Flash point: 274.106°C (Cal.)