[1-Piperidin-1-Yl-3-(5,6,7-Trimethoxy-1-Oxophthalazin-2-Yl)Propan-2-Yl] 3,4,5-Trimethoxybenzoate Hydrochloride
[CAS# 38952-85-1]

Identification

• Name: [1-Piperidin-1-Yl-3-(5,6,7-Trimethoxy-1-Oxophthalazin-2-Yl)Propan-2-Yl] 3,4,5-Trimethoxybenzoate Hydrochloride
• Synonyms: [1-(1-Piperidylmethyl)-2-(5,6,7-Trimethoxy-1-Oxo-Phthalazin-2-Yl)Ethyl] 3,4,5-Trimethoxybenzoate Hydrochloride; 3,4,5-Trimethoxybenzoic Acid [1-(1-Piperidylmethyl)-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-Piperidino-Ethyl] Ester Hydrochloride
• Molecular Formula: C₂₉H₃₈ClN₃O₉
• Molecular Weight: 608.09
• CAS Registry Number: 38952-85-1
• 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)CN4CCCCC4)OC.[Cl-]
• InChI: 1S/C29H37N3O9.ClH/c1-35-22-12-18(13-23(36-2)26(22)39-5)29(34)41-19(16-31-10-8-7-9-11-31)17-32-28(33)20-14-24(37-3)27(40-6)25(38-4)21(20)15-30-32;/h12-15,19H,7-11,16-17H2,1-6H3;1H
• InChIKey: SURWLLPUTKGPRM-UHFFFAOYSA-N

Properties

• Boiling point: 691.4°C at 760 mmHg (Cal.)
• Flash point: 371.9°C (Cal.)