Products 158069-75-1

CAS 158069-75-1 appears in our catalog under these names: Entacapone Impurity 80, Entacapone 3-b-D-glucuronide. Offered by: Chemat Brand, Biosynth. Available pack sizes: on request, 1000ug, 500ug, 2000ug, 10000ug, 5000ug.

Entacapone Impurity 80
Chemat Brand
  • size: on request
  • Variants: 1
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Entacapone 3-b-D-glucuronide
Biosynth
  • size: 1000ug, 500ug, 2000ug, 10000ug
  • Variants: 5
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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)

Synonyms: Entacapone 3-b-D-glucuronide, Entacapone 3-o-glucuronide, Entacapone Impurity 80