Tolcapone 3-β-D-glucuronide

cas: 204853-33-8 — see every product listed under this CAS number, including other names

Tolcapone 3-β-D-glucuronide (CAS 204853-33-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas204853-33-8
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(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy]oxane-2-carboxylic acid (CAS 204853-33-8) is a chemical compound with the molecular formula C20H19NO11 and a molecular weight of 449.4 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy]oxane-2-carboxylic acid. InChIKey: QQQCXCUCFPMHBX-HBWRTXEVSA-N.

Identity
Molecular formulaC20H19NO11
Molecular weight449.4 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy]oxane-2-carboxylic acid
InChIKeyQQQCXCUCFPMHBX-HBWRTXEVSA-N
SMILESCC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)[N+](=O)[O-]

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