Products 254902-29-9

CAS 254902-29-9 is the registry number for 5’-Amino Tolcapone 3-Sulfate. Offered by: TRC. Available pack sizes: 5mg.

5’-Amino Tolcapone 3-Sulfate
TRC
  • size: 5mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Tolcapone 5-amino-3-O-sulfate is a member of benzophenones.

Source: ChEBI

Identity
Molecular formulaC14H13NO6S
Molecular weight323.32 g/mol
IUPAC name[3-amino-2-hydroxy-5-(4-methylbenzoyl)phenyl] hydrogen sulfate
InChIKeyXXEISDBRYZQIMM-UHFFFAOYSA-N
SMILESCC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OS(=O)(=O)O)O)N

Computed by PubChem (NCBI)

Synonyms: Tolcapone 5-amino-3-O-sulfate, 5-Amino tolcapone-3-o-sulphate, Methanone, (3-amino-4-hydroxy-5-(sulfooxy)phenyl)(4-methylphenyl)-, [3-amino-2-hydroxy-5-(4-methylbenzoyl)phenyl] hydrogen sulfate, 5'-Amino Tolcapone 3-Sulfate, [3-amino-4-hydroxy-5-(sulfooxy)phenyl](4-methylphenyl)methanone
Isomers (same molecular formula)
2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid C14H13NO6S
2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid C14H13NO6S
2-(2,4-dihydroxyphenyl)sulfonyl-1,3-dihydroisoindole-4,6-diol C14H13NO6S