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253168-83-1

253168-83-1 Structure

253168-83-1 Structure
IdentificationBack Directory
[Name]

1H-Isoindole-1,3(2H)-dione, 2-[1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl]-
[CAS]

253168-83-1
[Synonyms]

Apremilast Impurity 76
Apremilast Impurity 81
rac-Apremilast Impurity 11
2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-aminoisoindoline-1,3-dione
1H-Isoindole-1,3(2H)-dione, 2-[1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl]-
4-Amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione
1H-Isoindole-1,3(2H)-dione, 4-amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-
[Molecular Formula]

C20H22N2O6S
[MDL Number]

MFCD32197151
[MOL File]

253168-83-1.mol
[Molecular Weight]

418.46
Chemical PropertiesBack Directory
[Boiling point ]

673.6±55.0 °C(Predicted)
[density ]

1.383±0.06 g/cm3(Predicted)
[pka]

-0.76±0.20(Predicted)
[InChI]

InChI=1S/C20H22N2O6S/c1-4-28-17-10-12(8-9-16(17)27-2)15(11-29(3,25)26)22-19(23)13-6-5-7-14(21)18(13)20(22)24/h5-10,15H,4,11,21H2,1-3H3
[InChIKey]

BHJUWEUNUCJYER-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(C(N)=CC=C2)C(=O)N1C(C1=CC=C(OC)C(OCC)=C1)CS(C)(=O)=O
Hazard InformationBack Directory
[Uses]

4-Amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione is used in the apremilast acetylamino analogs preparation as oral PDE4 and TNF-α inhibitors.
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