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Merck
CN

40406

Sigma-Aldrich

1,3-Dimethyluric acid

purum, ≥98.0% (UV)

Synonym(s):

1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione, Oxytheophylline

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About This Item

Empirical Formula (Hill Notation):
C7H8N4O3
CAS Number:
944-73-0
Molecular Weight:
196.16
Beilstein:
193698
EC Number:
213-410-1
MDL number:
MFCD00009740
UNSPSC Code:
41106305
PubChem Substance ID:
24865225

Key Documents

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grade

purum

Assay

≥98.0% (UV)

mp

≥300 °C (lit.)

SMILES string

CN1C(=O)N(C)C2=C(NC(=O)N2)C1=O

InChI

1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)

InChI key

OTSBKHHWSQYEHK-UHFFFAOYSA-N

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Other Notes

Metabolite of theophylline - HPLC determination

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B B Rasmussen et al.
Analytical biochemistry, 222(1), 9-13 (1994-10-01)
A method for the quantitation of three metabolites of theophylline, 1-methylxanthine (1 MX), 3-methylxanthine (3MX), and 1,3-dimethyluric acid (13DMU) in human liver microsomes has been developed. The method is based on a simple one-step extraction followed by isocratic, reversed-phase high-performance

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