2H-1,4-Benzoxazin-3(4H)-one, 4-(1-(2-benzoylethyl)-3-pyrrolidinyl)-, oxalate (1:1)

2-hydroxy-2-oxoacetate;4-[1-(3-oxo-3-phenylpropyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one

CAS: 23150-87-0

Molecular Formula	`C23H24N2O7`
Molecular Weight	440.4 g/mol
Topological Polar Surface Area	128.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	440.15836
Heavy Atoms	32
Complexity	595.0

Chemical Identifiers

CAS Number	23150-87-0
SMILES	`C1C[NH+](CC1N2C(=O)COC3=CC=CC=C32)CCC(=O)C4=CC=CC=C4.C(=O)(C(=O)[O-])O`
InChIKey	`TWMLWKLBZZPGCJ-UHFFFAOYSA-N`

📖 Product Overview

2H-1,4-Benzoxazin-3(4H)-one, 4-(1-(2-benzoylethyl)-3-pyrrolidinyl)-, oxalate (1:1) (CAS: 23150-87-0) is a chemical compound with molecular formula C23H24N2O7 and molecular weight 440.4 g/mol. Its IUPAC systematic name is 2-hydroxy-2-oxoacetate;4-[1-(3-oxo-3-phenylpropyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one. Topological Polar Surface Area 128.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 440.15836 Heavy Atoms 32 Complexity 595.0 InChI Key: TWMLWKLBZZPGCJ-UHFFFAOYSA-N. SMILES: C1C[NH+](CC1N2C(=O)COC3=CC=CC=C32)CCC(=O)C4=CC=CC=C4.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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Frequently Asked Questions

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-(2-benzoylethyl)-3-pyrrolidinyl)-, oxalate (1:1).

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