Benafentrine
[CAS# 35135-01-4]

Identification

• Name: Benafentrine
• Synonyms: N-[4-[(4As,10Br)-8,9-Dimethoxy-2-Methyl-3,4,4A,10B-Tetrahydro-1H-Pyrido[4,3-C]Isoquinolin-6-Yl]Phenyl]Ethanamide; 4'-(1,2,3,4,4Qbeta,10Bbeta-Hexahydro-8,9-Dimethoxy-2-Methylbenzo(C)(1,6)Naphthyridin-6-Yl)Acetanilid; Benafentrine
• Molecular Formula: C₂₃H₂₇N₃O₃
• Molecular Weight: 393.48
• CAS Registry Number: 35135-01-4
• SMILES: [C@H]12C4=C(C(=N[C@H]1CCN(C2)C)C3=CC=C(C=C3)NC(C)=O)C=C(OC)C(=C4)OC
• InChI: 1S/C23H27N3O3/c1-14(27)24-16-7-5-15(6-8-16)23-18-12-22(29-4)21(28-3)11-17(18)19-13-26(2)10-9-20(19)25-23/h5-8,11-12,19-20H,9-10,13H2,1-4H3,(H,24,27)/t19-,20-/m0/s1
• InChIKey: DCDXHGMCXGHXBM-PMACEKPBSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 558.491°C at 760 mmHg (Cal.)
• Flash point: 291.565°C (Cal.)