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1,7-Dimethylxanthine

SIGMA/D5385 - ~98%, solid

Synonym: 1,7-Dimethyl-1H-purine-2,6-dione; 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; 2,6-Dihydroxy-1,7-dimethylpurine; NSC 400018; Paraxanthine

CAS Number: 611-59-6
Empirical Formula (Hill Notation): C7H8N4O2
Molecular Weight: 180.16
EC Number: 210-271-9
MDL Number: MFCD00005727
Linear Formula: C7H8N4O2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-D5385-100MG 100 mg
 $216.00
1/EA		 Add To Favorites
45-D5385-500MG 500 mg
 $860.00
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: D5385-100MG
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: D5385-500MG

 

assay ~98%
color white
form solid
InChI 1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
InChI key QUNWUDVFRNGTCO-UHFFFAOYSA-N
mp 294-296 °C (lit.)
Quality Level 200 
SMILES string CN1C(=O)Nc2ncn(C)c2C1=O
solubility 0.1 M NaOH: 2 mg/mL
  ethanol: 0.6 mg/mL
  H2O: 1 mg/mL
Application: 1,7-Dimethylxanthine has been used for the quantification of caffeine by high-performance liquid chromatography (HPLC).
Biochem/physiol Actions: Adenosine receptor ligand; major metabolite of caffeine
Features and Benefits: This compound is a featured product for Cyclic Nucleotide research. Click here  to discover more featured Cyclic Nucleotide products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm .
General description: 1,7-Dimethylxanthine is a primary metabolite of caffeine. It has ergogenic and sympathomimetic effects.
Packaging: 100, 500 mg in poly bottle
Symbol GHS07  GHS07
Signal word Warning
Hazard statements H302
Precautionary statements P264 - P270 - P301 + P312 + P330 - P501
Hazard Codes Xn
Risk Statements 22
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ~98%
mp 294-296 °C (lit.)
UNSPSC 41106305

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