7-Methylxanthine

Modify Date: 2024-01-02 15:06:48

7-Methylxanthine Structure
7-Methylxanthine structure
Common Name 7-Methylxanthine
CAS Number 552-62-5 Molecular Weight 166.137
Density 1.8±0.1 g/cm3 Boiling Point N/A
Molecular Formula C6H6N4O2 Melting Point 300ºC
MSDS N/A Flash Point N/A

 Use of 7-Methylxanthine


7-Methylxanthine, a methyl derivative of xanthine, is one of the purine components in urinary calculi.

 Names

Name 7-methylxanthine
Synonym More Synonyms

 7-Methylxanthine Biological Activity

Description 7-Methylxanthine, a methyl derivative of xanthine, is one of the purine components in urinary calculi.
Related Catalog
Target

Human Endogenous Metabolite

References

[1]. Caubet MS, et al. Determination of urinary 13C-caffeine metabolites by liquid chromatography-mass spectrometry: the use of metabolic ratios to assess CYP1A2 activity. J Pharm Biomed Anal. 2004 Feb 4;34(2):379-89.

 Chemical & Physical Properties

Density 1.8±0.1 g/cm3
Melting Point 300ºC
Molecular Formula C6H6N4O2
Molecular Weight 166.137
Exact Mass 166.049072
PSA 83.54000
LogP -0.89
Index of Refraction 1.827
Water Solubility Soluble in dimethyl sulfoxide. Insoluble in water.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZD8925000
CHEMICAL NAME :
Xanthine, 7-methyl-
CAS REGISTRY NUMBER :
552-62-5
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H6-N4-O2
MOLECULAR WEIGHT :
166.16
WISWESSER LINE NOTATION :
T56 BN DN FMVMVJ B1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes
REFERENCE :
AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 43,305,1900

 Safety Information

Hazard Codes T+
Risk Phrases 26/27/28
Safety Phrases S22-S24/25
WGK Germany 3
RTECS ZD8925000
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-3,7-dihydro-1H-purine-2,6-dione
7-Methylxanthine
EINECS 209-019-0
MFCD00037979
7-methyl-3H-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-7-methyl-
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Price: ¥1540/10 mM * 1 mL in DMSO

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