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
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)
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Effects of allopurinol on theophylline metabolism and clearance. | 1979 Nov |
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| Reversed-phase liquid chromatographic investigation of UV-absorbing low-molecular-weight compounds in saliva. | 1982 Dec 10 |
|
| Cystic fibrosis: enhanced theophylline metabolism may be linked to the disease. | 1988 Sep |
|
| Human N-acetylation genotype determination with urinary caffeine metabolites. | 1990 Apr |
|
| Neurotoxic convulsions induced by theophylline and its metabolites in mice. | 1996 Jun |
|
| Developmental changes in urinary elimination of theophylline and its metabolites in pediatric patients. | 1999 Jan |
|
| Effects of acute renal failure induced by uranyl nitrate on the pharmacokinetics of intravenous theophylline in rats: the role of CYP2E1 induction in 1,3-dimethyluric acid formation. | 2002 Dec |
|
| Interaction of ibuprofen and probenecid with drug metabolizing enzyme phenotyping procedures using caffeine as the probe drug. | 2003 Feb |
|
| Cytochrome P450 1A2 (CYP1A2) activity and risk factors for breast cancer: a cross-sectional study. | 2004 |
|
| Phenotyping of N-acetyltransferase type 2 by caffeine from uncontrolled dietary exposure. | 2004 Mar |
|
| Improved HPLC assay for measuring serum vitamin C with 1-methyluric acid used as an electrochemically active internal standard. | 2005 Jun |
|
| Measurement of caffeine and five of the major metabolites in urine by high-performance liquid chromatography/tandem mass spectrometry. | 2005 Mar |
|
| Simultaneous high performance liquid chromatographic separation of purines, pyrimidines, N-acetylated amino acids, and dicarboxylic acids for the chemical diagnosis of inborn errors of metabolism. | 2005 Nov |
|
| Effect of a newly developed ketolide antibiotic, telithromycin, on metabolism of theophylline and expression of cytochrome P450 in rats. | 2006 May 30 |
|
| In vitro antioxidant activity of coffee compounds and their metabolites. | 2007 Aug 22 |
|
| Theophylline and its metabolites produce a stimulating cholinergic effect on the small intestine and a nonadrenergic noncholinergic relaxing effect on the colon: a comparative study in the rabbit intestine. | 2007 Dec |
|
| 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 |
|
| 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 |
|
| Lack of effect of aciclovir on metabolism of theophylline and expression of hepatic cytochrome P450 1A2 in rats. | 2007 Mar |
|
| Anti-inflammatory effect of theophylline in rats and its involvement of the glucocorticoid-glucocorticoid receptor system. | 2008 Apr |
|
| Relaxing and contracting effects of theophylline's metabolites on the rabbit upper gastrointestinal tract. | 2008 Oct |
|
| Phenotyping of N-acetyltransferase type 2 and xanthine oxidase with caffeine: when should urine samples be collected? | 2009 Apr |
|
| Simultaneous action of the flavonoid quercetin on cytochrome P450 (CYP) 1A2, CYP2A6, N-acetyltransferase and xanthine oxidase activity in healthy volunteers. | 2009 Aug |
|
| Two distinct pathways for metabolism of theophylline and caffeine are coexpressed in Pseudomonas putida CBB5. | 2009 Jul |
|
| Caffeine metabolic ratios for the in vivo evaluation of CYP1A2, N-acetyltransferase 2, xanthine oxidase and CYP2A6 enzymatic activities. | 2009 May |
Patents
| Name | Type | Language | ||
|---|---|---|---|---|
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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708-79-2
Created by
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C030530
Created by
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69726
Created by
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211-905-7
Created by
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DTXSID70221063
Created by
admin on Fri Dec 15 18:37:14 GMT 2023 , Edited by admin on Fri Dec 15 18:37:14 GMT 2023
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2WS4HQ639J
Created by
admin on Fri Dec 15 18:37:14 GMT 2023 , Edited by admin on Fri Dec 15 18:37:14 GMT 2023
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PARENT (METABOLITE INACTIVE)
PARENT (METABOLITE)
SUBSTANCE RECORD
