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]

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%