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Substance
ID:181096
Structure
Similarity
Functional Group
Text
ID:128826
1,7-Dimethylxanthine
Sigma Aldrich
ID: D5385
Names and Identifiers
Synonyms
paraxanthine
2,6-Dihydroxy-1,7-dimethylpurine
1,7-Dimethyl-1H-purine-2,6-dione
1,7-Dimethylxanthine
IUPAC Traditional name
paraxanthine
IUPAC name
1,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Registration numbers
CAS Number
611-59-6
PubChem SID
24277678
EC Number
210-271-9
MDL Number
MFCD00005727
Beilstein Number
197907
Properties
Safety Information
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
European Hazard Symbols
Harmful (Xn)
Risk Statements
22
RTECS
RV9380000
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
GHS Signal Word
Warning
GHS Hazard statements
H302
German water hazard class
3
Physical Property
Apperance
white solid
Melting Point
294-296 °C(lit.)
Solubility
ethanol: soluble0.6 mg/mL
0.1 M NaOH: soluble2 mg/mL
H2O: soluble1 mg/mL
Product Information
Purity
~98%
Pharmacology Properties
Gene Information
human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140)rat ... Adora1(29290), Adora2a(25369)
Molecule Details
Biochem/physiol Actions
Adenosine receptor ligand; major metabolite of caffeine
包装
100, 500 mg in poly bottle
Molecular Spectra
No Data Available
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References
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Molecular Spectra
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