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7-Methylxanthine

Names

[ CAS No. ]:
552-62-5

[ Name ]:
7-Methylxanthine

[Synonym ]:
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-

Biological Activity

[Description]:

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

[Related Catalog]:

Research Areas >> Metabolic Disease
Natural Products >> Saccharides and Glycosides

[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.


[Related Small Molecules]

3-Methyladenine | Hydrocortisone | Acetylcysteine(N-acetylcysteine) | Retinoic acid | Melatonine | Dinoprostone | Nicotinamide | Adenosine triphosphate | 4-Acetamidophenol | Prostaglandin E1 | Dehydroepiandrosterone | Corticosterone | Progesterone | Docosahexaenoic Acid | NAD+

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.

MSDS

Click to get detail MSDS

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%

Related Compounds