6-chloro-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one2-hydroxy-2-oxoacetate

6-chloro-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate

CAS: 57462-92-7

Molecular Formula	`C19H25ClN2O6`
Molecular Weight	412.9 g/mol
Topological Polar Surface Area	111.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	412.1401
Heavy Atoms	28
Complexity	478.0

Chemical Identifiers

CAS Number	57462-92-7
SMILES	`CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+]3CCCC3.C(=O)(C(=O)[O-])O`
InChIKey	`UAPITOJWKANGFK-UHFFFAOYSA-N`

📖 Product Overview

6-chloro-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one2-hydroxy-2-oxoacetate (CAS: 57462-92-7) is a chemical compound with molecular formula C19H25ClN2O6 and molecular weight 412.9 g/mol. Its IUPAC systematic name is 6-chloro-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 111.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 412.1401 Heavy Atoms 28 Complexity 478.0 InChI Key: UAPITOJWKANGFK-UHFFFAOYSA-N. SMILES: CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+]3CCCC3.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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