Products 149981-25-9

CAS 149981-25-9 is the registry number for 1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine Sodium Salt. Offered by: TRC. Available pack sizes: 10mg, 1mg, 2,5mg.

1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine Sodium Salt
TRC
  • size: 10mg, 1mg, 2,5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid (CAS 149981-25-9) is a chemical compound with the molecular formula C16H16N4O5S and a molecular weight of 376.4 g/mol. IUPAC name: 4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid. InChIKey: CDMZOKMMANFJMU-UHFFFAOYSA-N.

Identity
Molecular formulaC16H16N4O5S
Molecular weight376.4 g/mol
IUPAC name4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid
InChIKeyCDMZOKMMANFJMU-UHFFFAOYSA-N
SMILESCN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)O)N(C(=O)N(C2=O)CC=C)C

Computed by PubChem (NCBI)

Synonyms: 1-Allyl-3,7-dimethyl-8-sulfophenylxanthine, 1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine, 4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid, 1-Allyl-3,7-dimethyl-8-sulfophenylxanthine sodium salt, Lopac-A-145, Lopac0_000087, Tox21_500087
Isomers (same molecular formula)
(4-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate C16H16N4O5S