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452322-61-1

452322-61-1 Structure

452322-61-1 Structure
IdentificationBack Directory
[Name]

4-Quinolinepropanoic acid, α-[(4-chlorobenzoyl)amino]-1,2-dihydro-2-oxo-, ethyl ester
[CAS]

452322-61-1
[Synonyms]

Ethyl α-[(4-chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoate
4-Quinolinepropanoic acid, α-[(4-chlorobenzoyl)amino]-1,2-dihydro-2-oxo-, ethyl ester
Ethyl 2-(4-chlorobenzamido)-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoate (Rebamipide Impurity)
[Molecular Formula]

C21H19ClN2O4
[MOL File]

452322-61-1.mol
[Molecular Weight]

398.84
Chemical PropertiesBack Directory
[Boiling point ]

663.8±55.0 °C(Predicted)
[density ]

1.296±0.06 g/cm3(Predicted)
[pka]

11.55±0.70(Predicted)
[InChI]

InChI=1S/C21H19ClN2O4/c1-2-28-21(27)18(24-20(26)13-7-9-15(22)10-8-13)11-14-12-19(25)23-17-6-4-3-5-16(14)17/h3-10,12,18H,2,11H2,1H3,(H,23,25)(H,24,26)
[InChIKey]

DINXJEAUFZETJE-UHFFFAOYSA-N
[SMILES]

C(C1=CC(=O)NC2=CC=CC=C12)C(C(=O)OCC)NC(C1C=CC(Cl)=CC=1)=O
Spectrum DetailBack Directory
[Spectrum Detail]

4-Quinolinepropanoic acid, α-[(4-chlorobenzoyl)amino]-1,2-dihydro-2-oxo-, ethyl ester(452322-61-1)1HNMR
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