Products 2322380-18-5

CAS 2322380-18-5 appears in our catalog under these names: Lifitegrast Impurity 29, 7-Deschlorolifitegrast. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 5mg.

Lifitegrast Impurity 29
Chemat Brand
  • size: on request
  • Variants: 1
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7-Deschlorolifitegrast
TRC
  • size: 5mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S)-2-[[2-(1-benzofuran-6-carbonyl)-7-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid (CAS 2322380-18-5) is a chemical compound with the molecular formula C29H25ClN2O7S and a molecular weight of 581.0 g/mol. IUPAC name: (2S)-2-[[2-(1-benzofuran-6-carbonyl)-7-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid. InChIKey: PSJZQFXZHZANSZ-VWLOTQADSA-N.

Identity
Molecular formulaC29H25ClN2O7S
Molecular weight581.0 g/mol
IUPAC name(2S)-2-[[2-(1-benzofuran-6-carbonyl)-7-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid
InChIKeyPSJZQFXZHZANSZ-VWLOTQADSA-N
SMILESCS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2)C(=O)C4=CC5=C(C=C4)C=CO5)Cl

Computed by PubChem (NCBI)

Synonyms: 7-Deschlorolifitegrast, Lifitegrast Impurity 16, 7-Deschloro lifitegrast
Isomers (same molecular formula)
(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid C29H25ClN2O7S