Tolpadol
[CAS# 77502-27-3]

Identification

• Name: Tolpadol
• Synonyms: 2-Methyl-N-[2-[(2-Methylbenzoyl)Amino]-1,2-Bis(4-Pyridyl)Ethyl]Benzamide; 2-Methyl-N-[2-[[(2-Methylphenyl)-Oxomethyl]Amino]-1,2-Bis(4-Pyridyl)Ethyl]Benzamide; 2-Methyl-N-[2-[(2-Methylphenyl)Carbonylamino]-1,2-Di(Pyridin-4-Yl)Ethyl]Benzamide
• Molecular Formula: C₂₈H₂₆N₄O₂
• Molecular Weight: 450.54
• CAS Registry Number: 77502-27-3
• SMILES: C4=C(C(C(C1=CC=NC=C1)NC(C2=CC=CC=C2C)=O)NC(C3=CC=CC=C3C)=O)C=CN=C4
• InChI: 1S/C28H26N4O2/c1-19-7-3-5-9-23(19)27(33)31-25(21-11-15-29-16-12-21)26(22-13-17-30-18-14-22)32-28(34)24-10-6-4-8-20(24)2/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34)
• InChIKey: XOCZGIFMFBFPGQ-UHFFFAOYSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 729.37°C at 760 mmHg (Cal.)
• Flash point: 394.909°C (Cal.)