3,7-Dimethyluric acid

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Systematic / IUPAC Name: 3,7-Dimethyl-9H-purine-2,6,8-trione

ID: Reference189

Other Names: 3,7-Dimethyl-2,6,8-trihydroxypurine;
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-3,7-dimethyl-;
3,7-Dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione;
3,7-Dimethyl-1,3,7-trihydropurine-2,6,8-trione;
3,7-Dimethyl-1H-purine-2,6,8(3H,7H,9H)-trione

Formula: C7H8N4O3

Class: Endogenous Metabolites

Spectral Data

3,7-Dimethyluric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 179
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/14/2014 2:18:25 PM
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Identificators

InChI InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)
InChI Key HMLZLHKHNBLLJD-UHFFFAOYSA-N
Canonical SMILES CN1C2=C(NC1=O)N(C(=O)NC2=O)C
CAS 13087495
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Other Names 3,7-Dimethyl-2,6,8-trihydroxypurine;
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-3,7-dimethyl-;
3,7-Dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione;
3,7-Dimethyl-1,3,7-trihydropurine-2,6,8-trione;
3,7-Dimethyl-1H-purine-2,6,8(3H,7H,9H)-trione;
3,7-DMU

In Other Databases

ChemSpider 74994
ChemIDPlus 013087495
ChEMBL CHEMBL430928
KEGG C16360
HMDb HMDB01982
ChEBI CHEBI:68531
PubChem 83126