Introduction：Basic information about CAS 552-62-5|7-Methylxanthine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 7-Methylxanthine |
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| CAS Number | 552-62-5 | Molecular Weight | 166.137 |
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| Density | 1.8±0.1 g/cm3 | Boiling Point | / |
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| Molecular Formula | C6H6N4O2 | Melting Point | 300ºC |
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| MSDS | / | Flash Point | / |
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Names
| Name | 7-methylxanthine |
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| Synonym | More Synonyms |
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7-Methylxanthine BiologicalActivity
| Description | 7-Methylxanthine, a methyl derivative of xanthine, is one of the purine components in urinary calculi. |
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| Related Catalog | Research Areas >>Metabolic DiseaseNatural Products >>Saccharides and Glycosides |
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| Target | Human Endogenous Metabolite |
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| 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. |
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Chemical & Physical Properties
| Density | 1.8±0.1 g/cm3 |
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| Melting Point | 300ºC |
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| Molecular Formula | C6H6N4O2 |
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| Molecular Weight | 166.137 |
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| Exact Mass | 166.049072 |
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| PSA | 83.54000 |
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| LogP | -0.89 |
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| Index of Refraction | 1.827 |
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| InChIKey | PFWLFWPASULGAN-UHFFFAOYSA-N |
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| SMILES | Cn1cnc2[nH]c(=O)[nH]c(=O)c21 |
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| Water Solubility | Soluble in dimethyl sulfoxide. Insoluble in water. |
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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 DATAACUTE 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
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Safety Information
| Hazard Codes | T+ |
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| Risk Phrases | 26/27/28 |
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| Safety Phrases | S22-S24/25 |
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| WGK Germany | 3 |
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| RTECS | ZD8925000 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| 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% |
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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- |
