7-Deschlorolifitegrast

cas: 2322380-18-5 — see every product listed under this CAS number, including other names

7-Deschlorolifitegrast (CAS 2322380-18-5) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-D221655-5MG
cas2322380-18-5
size5mg
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properties

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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

Also listed as

Lifitegrast Impurity 29 Chemat Brand CAS 2322380-18-5