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2295862-29-0

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2295862-29-0 Structure

2295862-29-0 Structure
IdentificationBack Directory
[Name]

Lifitegrast Impurity 3
[CAS]

2295862-29-0
[Synonyms]

(S)-methyl 2-(2-(benzofuran-6-carbonyl)
methyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate
[Molecular Formula]

C30H26Cl2N2O7S
[MDL Number]

MFCD32182600
[MOL File]

2295862-29-0.mol
[Molecular Weight]

629.51
Chemical PropertiesBack Directory
[Boiling point ]

789.4±60.0 °C(Predicted)
[density ]

1.426±0.06 g/cm3(Predicted)
[pka]

11.19±0.20(Predicted)
[InChIKey]

XZMRMQMDMACEHK-DEOSSOPVSA-N
[SMILES]

C(OC)(=O)[C@H](CC1=CC=CC(S(C)(=O)=O)=C1)NC(C1C(Cl)=CC2=C(C=1Cl)CCN(C(C1C=C3OC=CC3=CC=1)=O)C2)=O
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