7,9-dihydro-7-methyl-1H-purine-2,6,8(3H)-trione

Modify Date: 2025-08-25 17:15:44

7,9-dihydro-7-methyl-1H-purine-2,6,8(3H)-trione Structure
7,9-dihydro-7-methyl-1H-purine-2,6,8(3H)-trione structure
Common Name 7,9-dihydro-7-methyl-1H-purine-2,6,8(3H)-trione
CAS Number 612-37-3 Molecular Weight 182.14
Density 1.73g/cm3 Boiling Point N/A
Molecular Formula C6H6N4O3 Melting Point >300ºC(lit.)
MSDS USA Flash Point N/A

 Use of 7,9-dihydro-7-methyl-1H-purine-2,6,8(3H)-trione


7-Methyluric acid is a metabolite of caffeine. 7-Methyluric acid can be detected in urine[1].

 Names

Name 7-methyl-3,9-dihydropurine-2,6,8-trione
Synonym More Synonyms

  Biological Activity

Description 7-Methyluric acid is a metabolite of caffeine. 7-Methyluric acid can be detected in urine[1].
Related Catalog
References

[1]. Tarka SM Jr, et al. Theobromine kinetics and metabolic disposition. Clin Pharmacol Ther. 1983 Oct;34(4):546-55.  

 Chemical & Physical Properties

Density 1.73g/cm3
Melting Point >300ºC(lit.)
Molecular Formula C6H6N4O3
Molecular Weight 182.14
Exact Mass 182.04400
PSA 103.51000
Index of Refraction 1.695
InChIKey YHNNPKUFPWLTOP-UHFFFAOYSA-N
SMILES Cn1c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c21
Storage condition -20°C

 Safety Information

Hazard Codes Xi
HS Code 2933990090

 Synthetic Route

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

7-Methyl-harnsaeure
7-Methyluric acid
7-methyl-7,9-dihydro-3H-purine-2,6,8-trione
7-methylurate
7,9-Dihydro-7-methyl-1H-purine-2,6,8(3H)-trione
N7-methyluric acid
7-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
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