Benzoic acid, 2,5-dimethoxy-4-(4-piperonylpiperazin-1-yl-carbonyl)-, ethyl ester, methanesulfonate

ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2,5-dimethoxybenzoate;methanesulfonate

CAS: 73713-62-9

Molecular Formula	`C25H32N2O10S`
Molecular Weight	552.6 g/mol
Topological Polar Surface Area	154.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	552.1778
Heavy Atoms	38
Complexity	748.0

Chemical Identifiers

CAS Number	73713-62-9
SMILES	`CCOC(=O)C1=C(C=C(C(=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC.CS(=O)(=O)[O-]`
InChIKey	`WOQUDWYDVQVMCM-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 2,5-dimethoxy-4-(4-piperonylpiperazin-1-yl-carbonyl)-, ethyl ester, methanesulfonate (CAS: 73713-62-9) is a chemical compound with molecular formula C25H32N2O10S and molecular weight 552.6 g/mol. Its IUPAC systematic name is ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2,5-dimethoxybenzoate;methanesulfonate. Topological Polar Surface Area 154.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 10 Rotatable Bonds 8 Exact Mass 552.1778 Heavy Atoms 38 Complexity 748.0 InChI Key: WOQUDWYDVQVMCM-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(C=C(C(=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC.CS(=O)(=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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