Entacapone 3-b-D-glucuronide

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

Entacapone 3-b-D-glucuronide (CAS 158069-75-1) is a chemical reagent available from Chemat. Available pack sizes: 1000ug, 500ug, 2000ug, 10000ug, 5000ug. Offered by: Biosynth.

brandBiosynth
catalog numberME16707-1000ug
cas158069-75-1
size1000ug
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properties

categoryCarbohydrates
sub-category 1Monosaccharides
purityNo data
delivery time3-4 Weeks
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

Also listed as

Entacapone Impurity 80 Chemat Brand CAS 158069-75-1