[1-(4-Methylpiperazin-1-Yl)-3-(5,6,7-Trimethoxy-1-Oxophthalazin-2-Yl)Propan-2-Yl] 3,4,5-Trimethoxybenzoate Hydrochloride
[CAS# 38952-87-3]

Identification

• Name: [1-(4-Methylpiperazin-1-Yl)-3-(5,6,7-Trimethoxy-1-Oxophthalazin-2-Yl)Propan-2-Yl] 3,4,5-Trimethoxybenzoate Hydrochloride
• Synonyms: [1-[(4-Methylpiperazin-1-Yl)Methyl]-2-(5,6,7-Trimethoxy-1-Oxo-Phthalazin-2-Yl)Ethyl] 3,4,5-Trimethoxybenzoate Hydrochloride; 3,4,5-Trimethoxybenzoic Acid [1-[(4-Methyl-1-Piperazinyl)Methyl]-2-(5,6,7-Trimethoxy-1-Oxo-2-Phthalazinyl)Ethyl] Ester Hydrochloride; 3,4,5-Trimethoxybenzoic Acid [1-[(1-Keto-5,6,7-Trimethoxy-Phthalazin-2-Yl)Methyl]-2-(4-Methylpiperazin-1-Yl)Ethyl] Ester Hydrochloride
• Molecular Formula: C₂₉H₃₉ClN₄O₉
• Molecular Weight: 623.10
• CAS Registry Number: 38952-87-3
• SMILES: [H+].C1=C(OC)C(=C(OC)C2=C1C(=O)N(N=C2)CC(OC(=O)C3=CC(=C(OC)C(=C3)OC)OC)CN4CCN(CC4)C)OC.[Cl-]
• InChI: 1S/C29H38N4O9.ClH/c1-31-8-10-32(11-9-31)16-19(42-29(35)18-12-22(36-2)26(40-6)23(13-18)37-3)17-33-28(34)20-14-24(38-4)27(41-7)25(39-5)21(20)15-30-33;/h12-15,19H,8-11,16-17H2,1-7H3;1H
• InChIKey: YWXOTYJCPCKTJI-UHFFFAOYSA-N

Properties

• Boiling point: 695.9°C at 760 mmHg (Cal.)
• Flash point: 374.7°C (Cal.)