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Showing NP-Card for 1,3-Dimethyluric acid (NP0000449)

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Record Information
Version2.0
Created at2006-02-22 10:05:38 UTC
Updated at2021-10-07 20:38:44 UTC
NP-MRD IDNP0000449
Secondary Accession NumbersNone
Natural Product Identification
Common Name1,3-Dimethyluric acid
Description1,3-Dimethyluric acid is a product of theophylline metabolism in man. 1,3-Dimethyluric acid is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316 , 15833286 , 3506820 , 15013152 , 4039734 ).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0000449 (1,3-Dimethyluric acid)


  Mrv1652305261923522D          

 14 15  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0945    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 14  1  0  0  0  0
M  END
Download

3D MOL for NP0000449 (1,3-Dimethyluric acid)

HMDB0001857
     RDKit          3D
1,3-Dimethyluric acid
 22 23  0  0  0  0  0  0  0  0999 V2000
    3.1810   -0.2148   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -0.1443   -0.0263 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9562   -1.2352   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5178   -2.3390   -0.4573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4229   -1.2084   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107   -2.1171   -0.4231 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6114   -1.5075   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7191   -2.0938   -0.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3954   -0.2054   -0.0513 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667   -0.0015   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2832    1.0819    0.2079 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851    2.3387    0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0612    1.0095    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962    2.0741    0.4088 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5639   -0.2251    1.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4541   -1.2016   -0.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5929    0.5955   -0.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2016   -3.1245   -0.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0916    0.5550    0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8228    2.4935   -0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199    2.2587    1.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068    3.2115    0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13  2  1  0
 10  5  2  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  6 18  1  0
  9 19  1  0
 12 20  1  0
 12 21  1  0
 12 22  1  0
M  END
Download

3D SDF for NP0000449 (1,3-Dimethyluric acid)


  Mrv1652305261923522D          

 14 15  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0945    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0000449

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O

> <INCHI_IDENTIFIER>
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

> <FORMULA>
C7H8N4O3

> <MOLECULAR_WEIGHT>
196.1634

> <EXACT_MASS>
196.059640142

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
17.74189953059846

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

> <ALOGPS_LOGP>
-0.74

> <JCHEM_LOGP>
-1.0968408043333333

> <ALOGPS_LOGS>
-1.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.258942474439532

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.742717171687908

> <JCHEM_PKA_STRONGEST_BASIC>
-5.922888493165294

> <JCHEM_POLAR_SURFACE_AREA>
81.75

> <JCHEM_REFRACTIVITY>
55.422

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.69e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3-dimethyluric acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0000449 (1,3-Dimethyluric acid)

HMDB0001857
     RDKit          3D
1,3-Dimethyluric acid
 22 23  0  0  0  0  0  0  0  0999 V2000
    3.1810   -0.2148   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -0.1443   -0.0263 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9562   -1.2352   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5178   -2.3390   -0.4573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4229   -1.2084   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107   -2.1171   -0.4231 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6114   -1.5075   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7191   -2.0938   -0.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3954   -0.2054   -0.0513 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667   -0.0015   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2832    1.0819    0.2079 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851    2.3387    0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0612    1.0095    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962    2.0741    0.4088 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5639   -0.2251    1.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4541   -1.2016   -0.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5929    0.5955   -0.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2016   -3.1245   -0.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0916    0.5550    0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8228    2.4935   -0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199    2.2587    1.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068    3.2115    0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13  2  1  0
 10  5  2  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  6 18  1  0
  9 19  1  0
 12 20  1  0
 12 21  1  0
 12 22  1  0
M  END
Download

PDB for NP0000449 (1,3-Dimethyluric acid)

HEADER    PROTEIN                                 26-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-19         0                                  
HETATM    1  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       1.334  -0.770   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0       2.667   1.540   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -1.465   2.016   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -2.370   0.770   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -3.910   0.770   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0      -1.465  -0.476   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4   14                                                  
CONECT    4    3    5   11                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   10                                                  
CONECT    8    7    2    9                                                  
CONECT    9    8                                                            
CONECT   10    7                                                            
CONECT   11    4   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    3                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END
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3D PDB for NP0000449 (1,3-Dimethyluric acid)

COMPND    HMDB0001857
HETATM    1  C1  UNL     1       3.181  -0.215  -0.035  1.00  0.00           C  
HETATM    2  N1  UNL     1       1.714  -0.144  -0.026  1.00  0.00           N  
HETATM    3  C2  UNL     1       0.956  -1.235  -0.243  1.00  0.00           C  
HETATM    4  O1  UNL     1       1.518  -2.339  -0.457  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.423  -1.208  -0.242  1.00  0.00           C  
HETATM    6  N2  UNL     1      -1.411  -2.117  -0.423  1.00  0.00           N  
HETATM    7  C4  UNL     1      -2.611  -1.507  -0.307  1.00  0.00           C  
HETATM    8  O2  UNL     1      -3.719  -2.094  -0.426  1.00  0.00           O  
HETATM    9  N3  UNL     1      -2.395  -0.205  -0.051  1.00  0.00           N  
HETATM   10  C5  UNL     1      -1.067  -0.002  -0.007  1.00  0.00           C  
HETATM   11  N4  UNL     1      -0.283   1.082   0.208  1.00  0.00           N  
HETATM   12  C6  UNL     1      -0.985   2.339   0.452  1.00  0.00           C  
HETATM   13  C7  UNL     1       1.061   1.010   0.198  1.00  0.00           C  
HETATM   14  O3  UNL     1       1.696   2.074   0.409  1.00  0.00           O  
HETATM   15  H1  UNL     1       3.564  -0.225   1.021  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.454  -1.202  -0.471  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.593   0.595  -0.638  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.202  -3.125  -0.620  1.00  0.00           H  
HETATM   19  H5  UNL     1      -3.092   0.555   0.096  1.00  0.00           H  
HETATM   20  H6  UNL     1      -1.823   2.494  -0.242  1.00  0.00           H  
HETATM   21  H7  UNL     1      -1.420   2.259   1.469  1.00  0.00           H  
HETATM   22  H8  UNL     1      -0.307   3.211   0.337  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3   13
CONECT    3    4    4    5
CONECT    5    6   10   10
CONECT    6    7   18
CONECT    7    8    8    9
CONECT    9   10   19
CONECT   10   11
CONECT   11   12   13
CONECT   12   20   21   22
CONECT   13   14   14
END
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SMILES for NP0000449 (1,3-Dimethyluric acid)

CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O
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INCHI for NP0000449 (1,3-Dimethyluric acid)

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)
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Synonyms
ValueSource
OxytheophyllineChEBI
1,3-DimethylateGenerator
1,3-Dimethylic acidGenerator
1,3-DimethylurateHMDB
Chemical FormulaC7H8N4O3
Average Mass196.1634 Da
Monoisotopic Mass196.05964 Da
IUPAC Name1,3-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
Traditional Name1,3-dimethyluric acid
CAS Registry Number944-73-0
SMILES
CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O
InChI Identifier
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 KeyOTSBKHHWSQYEHK-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
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Species Where Detected
Species NameSourceReference
Homo sapiens (Urine)KNApSAcK Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassImidazopyrimidines
Sub ClassPurines and purine derivatives
Direct ParentXanthines
Alternative Parents
Substituents
  • Xanthine
  • 6-oxopurine
  • Purinone
  • Alkaloid or derivatives
  • Pyrimidone
  • Pyrimidine
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Vinylogous amide
  • Lactam
  • Urea
  • Azacycle
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point408 - 410 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.52 mg/mL at 18 °CNot Available
LogP-0.52Gaspari, F., Vigano, G., Orisio, S., Bonati, M., Livio, M., & Remuzzi, G. (1987). Aspirin prolongs bleeding time in uremia by a mechanism distinct from platelet cyclooxygenase inhibition. The Journal of clinical investigation, 79(6), 1788-1797.
Predicted Properties
PropertyValueSource
Water Solubility8.69 g/LALOGPS
logP-0.74ALOGPS
logP-1.1ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)7.74ChemAxon
pKa (Strongest Basic)-5.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area81.75 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity55.42 m³·mol⁻¹ChemAxon
Polarizability17.74 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0001857
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB022712
KNApSAcK IDC00052097
Chemspider ID63527
KEGG Compound IDNot Available
BioCyc IDCPD-14118
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID2822
PubChem Compound70346
PDB IDNot Available
ChEBI ID68447
Good Scents IDNot Available
References
General References
  1. Orlando R, Padrini R, Perazzi M, De Martin S, Piccoli P, Palatini P: Liver dysfunction markedly decreases the inhibition of cytochrome P450 1A2-mediated theophylline metabolism by fluvoxamine. Clin Pharmacol Ther. 2006 May;79(5):489-99. [PubMed:16678550 ]
  2. Knoppert DC, Spino M, Beck R, Thiessen JJ, MacLeod SM: Cystic fibrosis: enhanced theophylline metabolism may be linked to the disease. Clin Pharmacol Ther. 1988 Sep;44(3):254-64. [PubMed:3046811 ]
  3. Miller M, Opheim KE, Raisys VA, Motulsky AG: Theophylline metabolism: variation and genetics. Clin Pharmacol Ther. 1984 Feb;35(2):170-82. [PubMed:6362955 ]
  4. Safranow K, Machoy Z: Simultaneous determination of 16 purine derivatives in urinary calculi by gradient reversed-phase high-performance liquid chromatography with UV detection. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 May 25;819(2):229-35. [PubMed:15833286 ]
  5. Safranow K: [Identification and quantitation of purine derivatives in urinary calculi as markers of abnormal purine metabolism by using high-performance liquid chromatography (HPLC)]. Ann Acad Med Stetin. 2000;46:35-49. [PubMed:11712316 ]
  6. Miller CA, Slusher LB, Vesell ES: Polymorphism of theophylline metabolism in man. J Clin Invest. 1985 May;75(5):1415-25. [PubMed:4039734 ]