6-Chloro-3-Hydroxy-2-[(4-Methylpiperazin-1-Yl)Methyl]-4-(6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-2-Yl)Quinazolin-3-Ium Chloride Hydrochloride
[CAS# 74422-39-2]

Identification

• Name: 6-Chloro-3-Hydroxy-2-[(4-Methylpiperazin-1-Yl)Methyl]-4-(6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-2-Yl)Quinazolin-3-Ium Chloride Hydrochloride
• Synonyms: 6-Chloro-3-Hydroxy-2-[(4-Methyl-1-Piperazinyl)Methyl]-4-(6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-2-Yl)Quinazolin-3-Ium Chloride Hydrochloride; Quinazolinium, 6-Chloro-3-Hydroxy-2-((4-Methyl-1-Piperazinyl)Methyl)-4-(6,7,8,9-Tetrahydro-5H-Benzocyclohepten-2-Yl)-, Chloride, Monohydrochloride, Hydrate; Vufb-9507
• Molecular Formula: C₂₅H₃₁Cl₃N₄O
• Molecular Weight: 509.91
• CAS Registry Number: 74422-39-2
• SMILES: [H+].C4=C(C1=[N+](O)C(=NC2=C1C=C(Cl)C=C2)CN3CCN(CC3)C)C=CC5=C4CCCCC5.[Cl-].[Cl-]
• InChI: 1S/C25H30ClN4O.2ClH/c1-28-11-13-29(14-12-28)17-24-27-23-10-9-21(26)16-22(23)25(30(24)31)20-8-7-18-5-3-2-4-6-19(18)15-20;;/h7-10,15-16,31H,2-6,11-14,17H2,1H3;2*1H/q+1;;/p-1
• InChIKey: GUOVPIRREBSTMS-UHFFFAOYSA-M

Properties

• Boiling point: 622.6°C at 760 mmHg (Cal.)
• Flash point: 330.4°C (Cal.)