diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium 2-hydroxy-2-oxo-acetate

diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium;bis(2-hydroxy-2-oxoacetate)

CAS: 105376-91-8

Molecular Formula	`C27H43N3O11`
Molecular Weight	585.6 g/mol
Topological Polar Surface Area	211.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	14
Exact Mass	585.28973
Heavy Atoms	41
Complexity	517.0

Chemical Identifiers

CAS Number	105376-91-8
SMILES	`CCCCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O`
InChIKey	`IDTVROIKCGTJQC-UHFFFAOYSA-N`

📖 Product Overview

diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium 2-hydroxy-2-oxo-acetate (CAS: 105376-91-8) is a chemical compound with molecular formula C27H43N3O11 and molecular weight 585.6 g/mol. Its IUPAC systematic name is diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium;bis(2-hydroxy-2-oxoacetate). Topological Polar Surface Area 211.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 11 Rotatable Bonds 14 Exact Mass 585.28973 Heavy Atoms 41 Complexity 517.0 InChI Key: IDTVROIKCGTJQC-UHFFFAOYSA-N. SMILES: CCCCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.C(=O)(C(=O)[O-])O.C(=O)(C(=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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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium 2-hydroxy-2-oxo-acetate.

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