Entacapone Impurity 80

cas: 158069-75-1 — see every product listed under this CAS number, including other names

Entacapone Impurity 80 (CAS 158069-75-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-E200380
cas158069-75-1
sizeon request
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properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 158069-75-1) is a chemical compound with the molecular formula C20H23N3O11 and a molecular weight of 481.4 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: QFIJKZUWSRMQEH-IJKJBMBDSA-N.

Identity
Molecular formulaC20H23N3O11
Molecular weight481.4 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyQFIJKZUWSRMQEH-IJKJBMBDSA-N
SMILESCCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)[N+](=O)[O-])/C#N

Computed by PubChem (NCBI)

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