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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N4O3
Molecular Weight 196.1637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,7-DIMETHYLURIC ACID

SMILES

Cn1c2c(nc1O)nc(n(C)c2=O)O

InChI

InChIKey=NOFNCLGCUJJPKU-UHFFFAOYSA-N
InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)

HIDE SMILES / InChI

Molecular Formula C7H8N4O3
Molecular Weight 196.1637
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Use of novel solid-phase extraction sorbent materials for high-performance liquid chromatography quantitation of caffeine metabolism products methylxanthines and methyluric acids in samples of biological origin.
2001 Aug 15
Caffeine metabolism before and after liver transplantation.
2001 Feb
Caffeine metabolism in a group of 67 patients with primary biliary cirrhosis.
2001 Jan
Extractionless method for the simultaneous high-performance liquid chromatographic determination of urinary caffeine metabolites for N-acetyltransferase 2, cytochrome P450 1A2 and xanthine oxidase activity assessment.
2001 May 5
CYP2A6 activity determined by caffeine phenotyping: association with colorectal cancer risk.
2002 Apr
A population phenotyping study of three drug-metabolizing enzymes in Kyushu, Japan, with use of the caffeine test.
2002 Aug
Interaction of ibuprofen and probenecid with drug metabolizing enzyme phenotyping procedures using caffeine as the probe drug.
2003 Feb
Cytochrome P450 1A2 (CYP1A2) activity, mammographic density, and oxidative stress: a cross-sectional study.
2004
Catabolism of caffeine in plants and microorganisms.
2004 May 1
Separation, pre-concentration, and HPLC analysis of methylxanthines in urine samples.
2004 Oct
Measurement of caffeine and five of the major metabolites in urine by high-performance liquid chromatography/tandem mass spectrometry.
2005 Mar
Caffeine N3-demethylation (CYP1A2) in a population with an increased exposure to polychlorinated biphenyls.
2006 Dec
[Determination of the activity of cytochrome P-450 CYP2A6 by HPLC method with caffeine as metabolizing probe].
2006 Mar
Concordance between the deduced acetylation status generated by high-speed: real-time PCR based NAT2 genotyping of seven single nucleotide polymorphisms and human NAT2 phenotypes determined by a caffeine assay.
2007 Feb
CYP2A6 activity in a healthy Spanish population: effect of age, sex, smoking, and oral contraceptives.
2008 May
Substance Class Chemical
Created
by admin
on Sat Jun 26 07:15:40 UTC 2021
Edited
by admin
on Sat Jun 26 07:15:40 UTC 2021
Record UNII
Z633Z7KAJU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,7-DIMETHYLURIC ACID
Systematic Name English
1H-PURINE-2,6,8(3H)-TRIONE, 7,9-DIHYDRO-1,7-DIMETHYL-
Systematic Name English
7,9-DIHYDRO-1,7-DIMETHYL-1H-PURINE-2,6,8(3H)-TRIONE
Systematic Name English
URIC ACID, 1,7-DIMETHYL-
Common Name English
Code System Code Type Description
FDA UNII
Z633Z7KAJU
Created by admin on Sat Jun 26 07:15:40 UTC 2021 , Edited by admin on Sat Jun 26 07:15:40 UTC 2021
PRIMARY
EPA CompTox
33868-03-0
Created by admin on Sat Jun 26 07:15:40 UTC 2021 , Edited by admin on Sat Jun 26 07:15:40 UTC 2021
PRIMARY
ECHA (EC/EINECS)
251-706-2
Created by admin on Sat Jun 26 07:15:40 UTC 2021 , Edited by admin on Sat Jun 26 07:15:40 UTC 2021
PRIMARY
PUBCHEM
91611
Created by admin on Sat Jun 26 07:15:40 UTC 2021 , Edited by admin on Sat Jun 26 07:15:40 UTC 2021
PRIMARY
CAS
33868-03-0
Created by admin on Sat Jun 26 07:15:40 UTC 2021 , Edited by admin on Sat Jun 26 07:15:40 UTC 2021
PRIMARY
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URINE