Products 1216671-39-4

CAS 1216671-39-4 is the registry number for Nitecapone-13C5. Offered by: TRC, Biosynth. Available pack sizes: 0,25mg, 0,5mg, 1mg.

Nitecapone-13C5
TRC, Biosynth
  • size: 0,25mg, 0,5mg, 1mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

3-[(3,4-dihydroxy-5-nitrophenyl)methylidene](1,2,3,4,5-13C5)pentane-2,4-dione (CAS 1216671-39-4) is a chemical compound with the molecular formula C12H11NO6 and a molecular weight of 270.18 g/mol. IUPAC name: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene](1,2,3,4,5-13C5)pentane-2,4-dione. InChIKey: UPMRZALMHVUCIN-VJQWXDCTSA-N.

Identity
Molecular formulaC12H11NO6
Molecular weight270.18 g/mol
IUPAC name3-[(3,4-dihydroxy-5-nitrophenyl)methylidene](1,2,3,4,5-13C5)pentane-2,4-dione
InChIKeyUPMRZALMHVUCIN-VJQWXDCTSA-N
SMILES[13CH3][13C](=O)[13C](=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])[13C](=O)[13CH3]

Computed by PubChem (NCBI)

Synonyms: Nitecapone-13C5, 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene](1,2,3,4,5-13C5)pentane-2,4-dione, 3-[(3,4-Dihydroxy-5-nitrophenyl)methylene]-2,4-pentanedione-13C5; OR 462-13C5;, 3-(3,4-Dihydroxy-5-nitrobenzylidene)pentane-2,4-dione-1,2,3,4,5-13C5
Related forms of this compound
3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione C12H11NO6
Isomers (same molecular formula)
ethyl 4-(4-nitrophenyl)-2,4-dioxobutanoate C12H11NO6
5-[[(5-carboxyfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid C12H11NO6
ethyl 4-(3-nitrophenyl)-2,4-dioxobutanoate C12H11NO6