1-METHYLURIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H6N4O3
Molecular Weight	182.1368
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C(=O)NC2=C(NC(=O)N2)C1=O

InChI

InChIKey=QFDRTQONISXGJA-UHFFFAOYSA-N

InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)

HIDE SMILES / InChI

Molecular Formula	C6H6N4O3
Molecular Weight	182.1368
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Reversed-phase liquid chromatographic investigation of UV-absorbing low-molecular-weight compounds in saliva.	1982 Dec 10	7161362
Human N-acetylation genotype determination with urinary caffeine metabolites.	1990 Apr	2328555
Developmental changes in urinary elimination of theophylline and its metabolites in pediatric patients.	1999 Jan	9890610
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	11499474
Caffeine metabolism before and after liver transplantation.	2001 Feb	11270802
Xanthine oxidase activity and blood glutathione redox ratio in infants and children with septic shock syndrome.	2001 Jan	11280638
Caffeine metabolism in a group of 67 patients with primary biliary cirrhosis.	2001 Jan	11204934
Dose dependent pharmacokinetics of theophylline: Michaelis-Menten parameters for its major metabolic pathways.	2001 Jan-Jun	11554438
Tegaserod coadministration does not alter the pharmacokinetics of theophylline in healthy subjects.	2001 Sep	11549104
Cytochrome P450 1A2 (CYP1A2) activity and risk factors for breast cancer: a cross-sectional study.	2004	15217502
Separation, pre-concentration, and HPLC analysis of methylxanthines in urine samples.	2004 Oct	15537072
Inhibition of theophylline metabolism by suplatast and its metabolites in rats.	2005 Jun	15930745
Improved HPLC assay for measuring serum vitamin C with 1-methyluric acid used as an electrochemically active internal standard.	2005 Jun	15860567
Measurement of caffeine and five of the major metabolites in urine by high-performance liquid chromatography/tandem mass spectrometry.	2005 Mar	15685651
[Determination of the activity of cytochrome P-450 CYP2A6 by HPLC method with caffeine as metabolizing probe].	2006 Mar	16759004
Liver dysfunction markedly decreases the inhibition of cytochrome P450 1A2-mediated theophylline metabolism by fluvoxamine.	2006 May	16678550
In vivo evaluation of CYP1A2, CYP2A6, NAT-2 and xanthine oxidase activities in a Greek population sample by the RP-HPLC monitoring of caffeine metabolic ratios.	2007 Feb	17221922

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:37:14 GMT 2023` Edited by `admin` on `Fri Dec 15 18:37:14 GMT 2023`
Record UNII	2WS4HQ639J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-METHYLURIC ACID

Systematic Name

English

1-METHYL-7,9-DIHYDRO-3H-PURINE-2,6,8-TRIONE

Systematic Name

English

1-METHYL-2,6,8-TRIHYDROXYPURINE

Systematic Name

English

Code System Code Type Description

CAS

708-79-2