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1,7-Dimethylxanthine

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For Research Use Only | Not For Clinical Use
CATAPS611596A
CAS611-59-6
Structure
MDL NumberMFCD00005727
SynonymsCaffeine Imp. F (EP), Paraxanthine, 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione,1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-, 1,7-Dimethylxanthine, NSC 400018, 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, Paraxanthine (6CI,7CI,8CI)
IUPAC Name1,7-dimethyl-3H-purine-2,6-dione
Molecular Weight180.16
Molecular FormulaC7H8N4O2
EC Number210-271-9
Canonical SMILESCN1C(=O)Nc2ncn(C)c2C1=O
InChIInChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
InChI KeyQUNWUDVFRNGTCO-UHFFFAOYSA-N
REAXYS Number197907
Description~98%, solid
Solubilityethanol: 0.6 mg/mL; H2O: 1 mg/mL; 0.1 M NaOH: 2 mg/mL
Accurate Mass180.0647
Assay~98%
Colorwhite
Formsolid
FormatNeat
MP294-296 °C (lit.)
ShippingRoom Temperature
Size100MG, 500MG
Storage Conditions+20°C
SubcategoryPharmaceutical and veterinary compounds and metabolites
TypeMetabolite
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