Almitrine
[CAS# 27469-53-0]

Identification

• Classification: API >> Nervous system medication >> Brain metabolism regulating drug
• Name: Almitrine
• Synonyms: 1,3,5-Triazine-2,4-Diamine, 6-(4-(Bis(4-Fluorophenyl)Methyl)-1-Piperazinyl)-N,N'-Di-2-Propenyl-, Dimethanesulfonate; Almitrine Bismesylate; Almitrine Bismethane Sulfonate
• Molecular Formula: C₂₇H₃₃F₂N₇O₃S
• Molecular Weight: 573.66
• CAS Registry Number: 27469-53-0
• EINECS: 248-475-5
• SMILES: C[S](=O)(=O)O.C4=C(C(N2CCN(C1=NC(=NC(=N1)NCC=C)NCC=C)CC2)C3=CC=C(F)C=C3)C=CC(=C4)F
• InChI: 1S/C26H29F2N7.CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;1-5(2,3)4/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);1H3,(H,2,3,4)
• InChIKey: QLOOZWWKRKLKMX-UHFFFAOYSA-N

Properties

• Boiling point: 606.2°C at 760 mmHg (Cal.)
• Flash point: 320.4°C (Cal.)